methyl (15R,16S,20S)-16-methyl-17-oxa-3-aza-13-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,18-heptaene-19-carboxylate

CAS: 18786-24-8

Molecular Formula	`C21H21N2O3+`
Molecular Weight	349.4 g/mol
LogP	3.1
Topological Polar Surface Area	55.2 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	349.1552
Heavy Atoms	26
Complexity	606.0

Chemical Identifiers

CAS Number	18786-24-8
SMILES	`CC1C2C[N+]3=C(CC2C(=CO1)C(=O)OC)C4=C(C=C3)C5=CC=CC=C5N4`
InChIKey	`WYTGDNHDOZPMIW-VBNZEHGJSA-O`

📖 Product Overview

methyl (15R,16S,20S)-16-methyl-17-oxa-3-aza-13-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,18-heptaene-19-carboxylate (CAS: 18786-24-8) is a chemical compound with molecular formula C21H21N2O3+ and molecular weight 349.4 g/mol. Its IUPAC systematic name is methyl (15R,16S,20S)-16-methyl-17-oxa-3-aza-13-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,18-heptaene-19-carboxylate. LogP 3.1 Topological Polar Surface Area 55.2 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 2 Exact Mass 349.1552 Heavy Atoms 26 Complexity 606.0 InChI Key: WYTGDNHDOZPMIW-VBNZEHGJSA-O. SMILES: CC1C2C[N+]3=C(CC2C(=CO1)C(=O)OC)C4=C(C=C3)C5=CC=CC=C5N4.

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for methyl (15R,16S,20S)-16-methyl-17-oxa-3-aza-13-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,18-heptaene-19-carboxylate.

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