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

Systemtic Name: 2-(1-decylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide Openeye Name: 2-(1-decylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide CAS Name: N-(2-heptoxyphenyl)carbamic acid 2-(1-decyl-1-piperidin-1-iumyl)ethyl ester bromide IUPAC Name: 2-(1-decylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide Traditional Name: N-(2-heptoxyphenyl)carbamic acid 2-(1-decylpiperidin-1-ium-1-yl)ethyl ester bromide Formula: C31H55BrN2O3 MolecularWeight: 583.684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H54N2O3.BrH/c1-3-5-7-9-10-11-12-17-23-33(24-18-14-19-25-33)26-28-36-31(34)32-29-21-15-16-22-30(29)35-27-20-13-8-6-4-2;/h15-16,21-22H,3-14,17-20,23-28H2,1-2H3;1H