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

Systemtic Name: 2-(1-heptylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide Openeye Name: 2-(1-heptylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide CAS Name: N-(2-heptoxyphenyl)carbamic acid 2-(1-heptyl-1-piperidin-1-iumyl)ethyl ester bromide IUPAC Name: 2-(1-heptylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide Traditional Name: N-(2-heptoxyphenyl)carbamic acid 2-(1-heptylpiperidin-1-ium-1-yl)ethyl ester bromide Formula: C28H49BrN2O3 MolecularWeight: 541.60426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H48N2O3.BrH/c1-3-5-7-9-14-20-30(21-15-11-16-22-30)23-25-33-28(31)29-26-18-12-13-19-27(26)32-24-17-10-8-6-4-2;/h12-13,18-19H,3-11,14-17,20-25H2,1-2H3;1H