2-(1-methylpiperidin-1-ium-1-yl)ethyl 4-[(2-octoxyphenyl)carbonylamino]benzoate bromide

Systemtic Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 4-[(2-octoxyphenyl)carbonylamino]benzoate bromide Openeye Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 4-[(2-octoxybenzoyl)amino]benzoate bromide CAS Name: 4-[[(2-octoxyphenyl)-oxomethyl]amino]benzoic acid 2-(1-methyl-1-piperidin-1-iumyl)ethyl ester bromide IUPAC Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 4-[(2-octoxybenzoyl)amino]benzoate bromide Traditional Name: 4-[(2-octoxybenzoyl)amino]benzoic acid 2-(1-methylpiperidin-1-ium-1-yl)ethyl ester bromide Formula: C30H43BrN2O4 MolecularWeight: 575.57742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OCC[N+]3(CCCCC3)C.[Br-]

Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OCC[N+]3(CCCCC3)C.[Br-]

InChI

InChI=1S/C30H42N2O4.BrH/c1-3-4-5-6-7-13-23-35-28-15-10-9-14-27(28)29(33)31-26-18-16-25(17-19-26)30(34)36-24-22-32(2)20-11-8-12-21-32;/h9-10,14-19H,3-8,11-13,20-24H2,1-2H3;1H