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

Systemtic Name: 2-(1-ethylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide Openeye Name: 2-(1-ethylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide CAS Name: N-(2-heptoxyphenyl)carbamic acid 2-(1-ethyl-1-piperidin-1-iumyl)ethyl ester bromide IUPAC Name: 2-(1-ethylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide Traditional Name: N-(2-heptoxyphenyl)carbamic acid 2-(1-ethylpiperidin-1-ium-1-yl)ethyl ester bromide Formula: C23H39BrN2O3 MolecularWeight: 471.47136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38N2O3.BrH/c1-3-5-6-7-13-19-27-22-15-10-9-14-21(22)24-23(26)28-20-18-25(4-2)16-11-8-12-17-25;/h9-10,14-15H,3-8,11-13,16-20H2,1-2H3;1H