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

Systemtic Name: 2-[1-(phenylmethyl)piperidin-1-ium-1-yl]ethyl N-(2-heptoxyphenyl)carbamate chloride Openeye Name: 2-(1-benzylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate chloride CAS Name: N-(2-heptoxyphenyl)carbamic acid 2-[1-(phenylmethyl)-1-piperidin-1-iumyl]ethyl ester chloride IUPAC Name: 2-(1-benzylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate chloride Traditional Name: N-(2-heptoxyphenyl)carbamic acid 2-(1-benzylpiperidin-1-ium-1-yl)ethyl ester chloride Formula: C28H41ClN2O3 MolecularWeight: 489.08974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC=C1NC(=O)OCC[N+]2(CCCCC2)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCCCCCCOC1=CC=CC=C1NC(=O)OCC[N+]2(CCCCC2)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C28H40N2O3.ClH/c1-2-3-4-5-14-22-32-27-18-11-10-17-26(27)29-28(31)33-23-21-30(19-12-7-13-20-30)24-25-15-8-6-9-16-25;/h6,8-11,15-18H,2-5,7,12-14,19-24H2,1H3;1H