ethyl 7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4-pyridin-1-ium-4-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4-pyridin-1-ium-4-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: ethyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-pyridin-1-ium-4-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-(4-pyridin-1-iumyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-pyridin-1-ium-4-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-7-(4-methoxyphenyl)-2-methyl-4-pyridin-1-ium-4-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester Formula: C25H27N2O4+ MolecularWeight: 419.49288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC=[NH+]C=C3)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC=[NH+]C=C3)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C25H26N2O4/c1-4-31-25(29)22-15(2)27-20-13-18(16-5-7-19(30-3)8-6-16)14-21(28)24(20)23(22)17-9-11-26-12-10-17/h5-13,18,23-24,27H,4,14H2,1-3H3/p+1