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

Systemtic Name: (phenylmethyl) 2-methyl-5-oxidanylidene-7-phenyl-4-pyridin-1-ium-3-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: benzyl 2-methyl-5-oxo-7-phenyl-4-pyridin-1-ium-3-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-5-oxo-7-phenyl-4-(3-pyridin-1-iumyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-methyl-5-oxo-7-phenyl-4-pyridin-1-ium-3-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-2-methyl-7-phenyl-4-pyridin-1-ium-3-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid benzyl ester Formula: C29H27N2O3+ MolecularWeight: 451.53628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=C[NH+]=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=C[NH+]=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C29H26N2O3/c1-19-26(29(33)34-18-20-9-4-2-5-10-20)27(22-13-8-14-30-17-22)28-24(31-19)15-23(16-25(28)32)21-11-6-3-7-12-21/h2-15,17,23,27-28,31H,16,18H2,1H3/p+1