ethyl 2-azanyl-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-4-pyridin-1-ium-3-yl-6,8-dihydro-4H-quinoline-3-carboxylate

Systemtic Name: ethyl 2-azanyl-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-4-pyridin-1-ium-3-yl-6,8-dihydro-4H-quinoline-3-carboxylate Openeye Name: ethyl 2-amino-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-4-pyridin-1-ium-3-yl-6,8-dihydro-4H-quinoline-3-carboxylate CAS Name: 2-amino-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-4-(3-pyridin-1-iumyl)-6,8-dihydro-4H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-4-pyridin-1-ium-3-yl-6,8-dihydro-4H-quinoline-3-carboxylate Traditional Name: 2-amino-5-keto-1-(4-methoxyphenyl)-7,7-dimethyl-4-pyridin-1-ium-3-yl-6,8-dihydro-4H-quinoline-3-carboxylic acid ethyl ester Formula: C26H30N3O4+ MolecularWeight: 448.5341

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C(C1C3=C[NH+]=CC=C3)C(=O)CC(C2)(C)C)C4=CC=C(C=C4)OC)N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C(C1C3=C[NH+]=CC=C3)C(=O)CC(C2)(C)C)C4=CC=C(C=C4)OC)N

InChI

InChI=1S/C26H29N3O4/c1-5-33-25(31)23-21(16-7-6-12-28-15-16)22-19(13-26(2,3)14-20(22)30)29(24(23)27)17-8-10-18(32-4)11-9-17/h6-12,15,21H,5,13-14,27H2,1-4H3/p+1