2-piperidin-1-ium-1-ylethyl N-(3-octoxyphenyl)carbamate chloride

Systemtic Name: 2-piperidin-1-ium-1-ylethyl N-(3-octoxyphenyl)carbamate chloride Openeye Name: 2-piperidin-1-ium-1-ylethyl N-(3-octoxyphenyl)carbamate chloride CAS Name: N-(3-octoxyphenyl)carbamic acid 2-(1-piperidin-1-iumyl)ethyl ester chloride IUPAC Name: 2-piperidin-1-ium-1-ylethyl N-(3-octoxyphenyl)carbamate chloride Traditional Name: N-(3-octoxyphenyl)carbamic acid 2-piperidin-1-ium-1-ylethyl ester chloride Formula: C22H37ClN2O3 MolecularWeight: 412.99378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC(=C1)NC(=O)OCC[NH+]2CCCCC2.[Cl-]

Isomeric SMILES

CCCCCCCCOC1=CC=CC(=C1)NC(=O)OCC[NH+]2CCCCC2.[Cl-]

InChI

InChI=1S/C22H36N2O3.ClH/c1-2-3-4-5-6-10-17-26-21-13-11-12-20(19-21)23-22(25)27-18-16-24-14-8-7-9-15-24;/h11-13,19H,2-10,14-18H2,1H3,(H,23,25);1H