methyl 2-methyl-5-oxidanylidene-7-phenyl-4-pyridin-1-ium-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: methyl 2-methyl-5-oxidanylidene-7-phenyl-4-pyridin-1-ium-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: methyl 2-methyl-5-oxo-7-phenyl-4-pyridin-1-ium-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-5-oxo-7-phenyl-4-(2-pyridin-1-iumyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-oxo-7-phenyl-4-pyridin-1-ium-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-2-methyl-7-phenyl-4-pyridin-1-ium-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester Formula: C23H23N2O3+ MolecularWeight: 375.44032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=CC=CC=[NH+]4)C(=O)OC

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=CC=CC=[NH+]4)C(=O)OC

InChI

InChI=1S/C23H22N2O3/c1-14-20(23(27)28-2)22(17-10-6-7-11-24-17)21-18(25-14)12-16(13-19(21)26)15-8-4-3-5-9-15/h3-12,16,21-22,25H,13H2,1-2H3/p+1