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

Systemtic Name: (phenylmethyl) 7-(4-chlorophenyl)-2-methyl-5-oxidanylidene-4-pyridin-1-ium-4-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: benzyl 7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-1-ium-4-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(4-pyridin-1-iumyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-1-ium-4-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 7-(4-chlorophenyl)-5-keto-2-methyl-4-pyridin-1-ium-4-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid benzyl ester Formula: C29H26ClN2O3+ MolecularWeight: 485.98134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H25ClN2O3/c1-18-26(29(34)35-17-19-5-3-2-4-6-19)27(21-11-13-31-14-12-21)28-24(32-18)15-22(16-25(28)33)20-7-9-23(30)10-8-20/h2-15,22,27-28,32H,16-17H2,1H3/p+1