RefChem:1071149

(2S,10S)-6-methoxy-15-methyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-triene;4-methylbenzenesulfonate

CAS: 53757-97-4

Molecular Formula	`C23H29NO4S`
Molecular Weight	415.5 g/mol
Topological Polar Surface Area	79.3 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	1
Exact Mass	415.18173
Heavy Atoms	29
Complexity	524.0

Chemical Identifiers

CAS Number	53757-97-4
SMILES	`CC1=CC=C(C=C1)S(=O)(=O)[O-].C[NH+]1C2CCC1C3CC4=C(C3C2)C=CC(=C4)OC`
InChIKey	`TWIQNPZUSNWBLN-HOTLZPRUSA-N`

📖 Product Overview

RefChem:1071149 (CAS: 53757-97-4) is a chemical compound with molecular formula C23H29NO4S and molecular weight 415.5 g/mol. Its IUPAC systematic name is (2S,10S)-6-methoxy-15-methyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-triene;4-methylbenzenesulfonate. Topological Polar Surface Area 79.3 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 1 Exact Mass 415.18173 Heavy Atoms 29 Complexity 524.0 InChI Key: TWIQNPZUSNWBLN-HOTLZPRUSA-N. SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C[NH+]1C2CCC1C3CC4=C(C3C2)C=CC(=C4)OC.

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