2-(1-prop-2-enylpiperidin-1-ium-1-yl)ethyl N-(2-pentoxyphenyl)carbamate bromide

Systemtic Name: 2-(1-prop-2-enylpiperidin-1-ium-1-yl)ethyl N-(2-pentoxyphenyl)carbamate bromide Openeye Name: 2-(1-allylpiperidin-1-ium-1-yl)ethyl N-(2-pentoxyphenyl)carbamate bromide CAS Name: N-(2-pentoxyphenyl)carbamic acid 2-(1-prop-2-enyl-1-piperidin-1-iumyl)ethyl ester bromide IUPAC Name: 2-(1-prop-2-enylpiperidin-1-ium-1-yl)ethyl N-(2-pentoxyphenyl)carbamate bromide Traditional Name: N-(2-amoxyphenyl)carbamic acid 2-(1-allylpiperidin-1-ium-1-yl)ethyl ester bromide Formula: C22H35BrN2O3 MolecularWeight: 455.4289

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1NC(=O)OCC[N+]2(CCCCC2)CC=C.[Br-]

Isomeric SMILES

CCCCCOC1=CC=CC=C1NC(=O)OCC[N+]2(CCCCC2)CC=C.[Br-]

InChI

InChI=1S/C22H34N2O3.BrH/c1-3-5-11-18-26-21-13-8-7-12-20(21)23-22(25)27-19-17-24(14-4-2)15-9-6-10-16-24;/h4,7-8,12-13H,2-3,5-6,9-11,14-19H2,1H3;1H