[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-[(3-methoxycarbonyl-4-methyl-quinolin-2-yl)methyl]-methyl-azanium

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-[(3-methoxycarbonyl-4-methyl-quinolin-2-yl)methyl]-methyl-azanium Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl]-[(3-methoxycarbonyl-4-methyl-2-quinolyl)methyl]-methyl-ammonium CAS Name: [2-(2,3-dimethylanilino)-2-oxoethyl]-[(3-methoxycarbonyl-4-methyl-2-quinolinyl)methyl]-methylammonium IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl]-[(3-methoxycarbonyl-4-methylquinolin-2-yl)methyl]-methylazanium Traditional Name: (3-carbomethoxy-4-methyl-2-quinolyl)methyl-[2-(2,3-dimethylanilino)-2-keto-ethyl]-methyl-ammonium Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3C(=C2C(=O)OC)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3C(=C2C(=O)OC)C)C

InChI

InChI=1S/C24H27N3O3/c1-15-9-8-12-19(16(15)2)26-22(28)14-27(4)13-21-23(24(29)30-5)17(3)18-10-6-7-11-20(18)25-21/h6-12H,13-14H2,1-5H3,(H,26,28)/p+1