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

Systemtic Name: 2-(1-nonylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide Openeye Name: 2-(1-nonylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide CAS Name: N-(2-heptoxyphenyl)carbamic acid 2-(1-nonyl-1-piperidin-1-iumyl)ethyl ester bromide IUPAC Name: 2-(1-nonylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide Traditional Name: N-(2-heptoxyphenyl)carbamic acid 2-(1-nonylpiperidin-1-ium-1-yl)ethyl ester bromide Formula: C30H53BrN2O3 MolecularWeight: 569.65742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC[N+]1(CCCCC1)CCOC(=O)NC2=CC=CC=C2OCCCCCCC.[Br-]

Isomeric SMILES

CCCCCCCCC[N+]1(CCCCC1)CCOC(=O)NC2=CC=CC=C2OCCCCCCC.[Br-]

InChI

InChI=1S/C30H52N2O3.BrH/c1-3-5-7-9-10-11-16-22-32(23-17-13-18-24-32)25-27-35-30(33)31-28-20-14-15-21-29(28)34-26-19-12-8-6-4-2;/h14-15,20-21H,3-13,16-19,22-27H2,1-2H3;1H