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

Systemtic Name: 2-(4-methylmorpholin-4-ium-4-yl)ethyl 4-[(2-octoxyphenyl)carbonylamino]benzoate bromide Openeye Name: 2-(4-methylmorpholin-4-ium-4-yl)ethyl 4-[(2-octoxybenzoyl)amino]benzoate bromide CAS Name: 4-[[(2-octoxyphenyl)-oxomethyl]amino]benzoic acid 2-(4-methyl-4-morpholin-4-iumyl)ethyl ester bromide IUPAC Name: 2-(4-methylmorpholin-4-ium-4-yl)ethyl 4-[(2-octoxybenzoyl)amino]benzoate bromide Traditional Name: 4-[(2-octoxybenzoyl)amino]benzoic acid 2-(4-methylmorpholin-4-ium-4-yl)ethyl ester bromide Formula: C29H41BrN2O5 MolecularWeight: 577.55024

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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(CCOCC3)C.[Br-]

Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OCC[N+]3(CCOCC3)C.[Br-]

InChI

InChI=1S/C29H40N2O5.BrH/c1-3-4-5-6-7-10-20-35-27-12-9-8-11-26(27)28(32)30-25-15-13-24(14-16-25)29(33)36-23-19-31(2)17-21-34-22-18-31;/h8-9,11-16H,3-7,10,17-23H2,1-2H3;1H