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

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-[(3-ethoxycarbonyl-4-methyl-quinolin-2-yl)methyl]-methyl-azanium Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl]-[(3-ethoxycarbonyl-4-methyl-2-quinolyl)methyl]-methyl-ammonium CAS Name: [2-(2,3-dimethylanilino)-2-oxoethyl]-[(3-ethoxycarbonyl-4-methyl-2-quinolinyl)methyl]-methylammonium IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl]-[(3-ethoxycarbonyl-4-methylquinolin-2-yl)methyl]-methylazanium Traditional Name: (3-carbethoxy-4-methyl-2-quinolyl)methyl-[2-(2,3-dimethylanilino)-2-keto-ethyl]-methyl-ammonium Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+](C)CC(=O)NC3=CC=CC(=C3C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+](C)CC(=O)NC3=CC=CC(=C3C)C)C

InChI

InChI=1S/C25H29N3O3/c1-6-31-25(30)24-18(4)19-11-7-8-12-21(19)26-22(24)14-28(5)15-23(29)27-20-13-9-10-16(2)17(20)3/h7-13H,6,14-15H2,1-5H3,(H,27,29)/p+1