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

Systemtic Name: 2-(1-hexylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide Openeye Name: 2-(1-hexylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide CAS Name: N-(2-heptoxyphenyl)carbamic acid 2-(1-hexyl-1-piperidin-1-iumyl)ethyl ester bromide IUPAC Name: 2-(1-hexylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide Traditional Name: N-(2-heptoxyphenyl)carbamic acid 2-(1-hexylpiperidin-1-ium-1-yl)ethyl ester bromide Formula: C27H47BrN2O3 MolecularWeight: 527.57768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H46N2O3.BrH/c1-3-5-7-9-16-23-31-26-18-12-11-17-25(26)28-27(30)32-24-22-29(19-13-8-6-4-2)20-14-10-15-21-29;/h11-12,17-18H,3-10,13-16,19-24H2,1-2H3;1H