ethyl 4-[(1-decyl-4,4-dimethyl-2-oxidanylidene-3H-quinolin-1-ium-1-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(1-decyl-4,4-dimethyl-2-oxidanylidene-3H-quinolin-1-ium-1-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(1-decyl-4,4-dimethyl-2-oxo-3H-quinolin-1-ium-1-carbonyl)amino]benzoate CAS Name: 4-[[(1-decyl-4,4-dimethyl-2-oxo-3H-quinolin-1-ium-1-yl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-decyl-4,4-dimethyl-2-oxo-3H-quinolin-1-ium-1-carbonyl)amino]benzoate Traditional Name: 4-[(1-decyl-2-keto-4,4-dimethyl-3H-quinolin-1-ium-1-carbonyl)amino]benzoic acid ethyl ester Formula: C31H43N2O4+ MolecularWeight: 507.68412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+]1(C(=O)CC(C2=CC=CC=C21)(C)C)C(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCCCCCCCC[N+]1(C(=O)CC(C2=CC=CC=C21)(C)C)C(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C31H42N2O4/c1-5-7-8-9-10-11-12-15-22-33(27-17-14-13-16-26(27)31(3,4)23-28(33)34)30(36)32-25-20-18-24(19-21-25)29(35)37-6-2/h13-14,16-21H,5-12,15,22-23H2,1-4H3/p+1