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

Systemtic Name: 2-(1-octylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide Openeye Name: 2-(1-octylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide CAS Name: N-(2-heptoxyphenyl)carbamic acid 2-(1-octyl-1-piperidin-1-iumyl)ethyl ester bromide IUPAC Name: 2-(1-octylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide Traditional Name: N-(2-heptoxyphenyl)carbamic acid 2-(1-octylpiperidin-1-ium-1-yl)ethyl ester bromide Formula: C29H51BrN2O3 MolecularWeight: 555.63084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H50N2O3.BrH/c1-3-5-7-9-10-15-21-31(22-16-12-17-23-31)24-26-34-29(32)30-27-19-13-14-20-28(27)33-25-18-11-8-6-4-2;/h13-14,19-20H,3-12,15-18,21-26H2,1-2H3;1H