2-[1-(phenylmethyl)piperidin-1-ium-1-yl]ethyl N-(2-pentoxyphenyl)carbamate chloride

Systemtic Name: 2-[1-(phenylmethyl)piperidin-1-ium-1-yl]ethyl N-(2-pentoxyphenyl)carbamate chloride Openeye Name: 2-(1-benzylpiperidin-1-ium-1-yl)ethyl N-(2-pentoxyphenyl)carbamate chloride CAS Name: N-(2-pentoxyphenyl)carbamic acid 2-[1-(phenylmethyl)-1-piperidin-1-iumyl]ethyl ester chloride IUPAC Name: 2-(1-benzylpiperidin-1-ium-1-yl)ethyl N-(2-pentoxyphenyl)carbamate chloride Traditional Name: N-(2-amoxyphenyl)carbamic acid 2-(1-benzylpiperidin-1-ium-1-yl)ethyl ester chloride Formula: C26H37ClN2O3 MolecularWeight: 461.03658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1NC(=O)OCC[N+]2(CCCCC2)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCCCCOC1=CC=CC=C1NC(=O)OCC[N+]2(CCCCC2)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C26H36N2O3.ClH/c1-2-3-12-20-30-25-16-9-8-15-24(25)27-26(29)31-21-19-28(17-10-5-11-18-28)22-23-13-6-4-7-14-23;/h4,6-9,13-16H,2-3,5,10-12,17-22H2,1H3;1H