Compound C17H27ClN2O2

3-(4-methylpiperazin-4-ium-1-yl)propyl 2-cyclohepta-2,4,6-trien-1-ylacetate chloride

CAS: 72050-77-2

Molecular Formula	`C17H27ClN2O2`
Molecular Weight	326.9 g/mol
Topological Polar Surface Area	34.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	7
Exact Mass	326.17612
Heavy Atoms	22
Complexity	391.0

Chemical Identifiers

CAS Number	72050-77-2
SMILES	`C[NH+]1CCN(CC1)CCCOC(=O)CC2C=CC=CC=C2.[Cl-]`
InChIKey	`MGRUNNGBZNIOKF-UHFFFAOYSA-N`

📖 Product Overview

Compound C17H27ClN2O2 (CAS: 72050-77-2) is a chemical compound with molecular formula C17H27ClN2O2 and molecular weight 326.9 g/mol. Its IUPAC systematic name is 3-(4-methylpiperazin-4-ium-1-yl)propyl 2-cyclohepta-2,4,6-trien-1-ylacetate chloride. Topological Polar Surface Area 34.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 7 Exact Mass 326.17612 Heavy Atoms 22 Complexity 391.0 InChI Key: MGRUNNGBZNIOKF-UHFFFAOYSA-N. SMILES: C[NH+]1CCN(CC1)CCCOC(=O)CC2C=CC=CC=C2.[Cl-].

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