2-(1-butylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide

Systemtic Name: 2-(1-butylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide Openeye Name: 2-(1-butylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide CAS Name: N-(2-heptoxyphenyl)carbamic acid 2-(1-butyl-1-piperidin-1-iumyl)ethyl ester bromide IUPAC Name: 2-(1-butylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide Traditional Name: N-(2-heptoxyphenyl)carbamic acid 2-(1-butylpiperidin-1-ium-1-yl)ethyl ester bromide Formula: C25H43BrN2O3 MolecularWeight: 499.52452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC=C1NC(=O)OCC[N+]2(CCCCC2)CCCC.[Br-]

Isomeric SMILES

CCCCCCCOC1=CC=CC=C1NC(=O)OCC[N+]2(CCCCC2)CCCC.[Br-]

InChI

InChI=1S/C25H42N2O3.BrH/c1-3-5-7-8-14-21-29-24-16-11-10-15-23(24)26-25(28)30-22-20-27(17-6-4-2)18-12-9-13-19-27;/h10-11,15-16H,3-9,12-14,17-22H2,1-2H3;1H