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

Systemtic Name: 2-(1-pentylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide Openeye Name: 2-(1-pentylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide CAS Name: N-(2-heptoxyphenyl)carbamic acid 2-(1-pentyl-1-piperidin-1-iumyl)ethyl ester bromide IUPAC Name: 2-(1-pentylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide Traditional Name: N-(2-heptoxyphenyl)carbamic acid 2-(1-amylpiperidin-1-ium-1-yl)ethyl ester bromide Formula: C26H45BrN2O3 MolecularWeight: 513.5511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44N2O3.BrH/c1-3-5-7-8-15-22-30-25-17-11-10-16-24(25)27-26(29)31-23-21-28(18-12-6-4-2)19-13-9-14-20-28;/h10-11,16-17H,3-9,12-15,18-23H2,1-2H3;1H