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

Systemtic Name: cyclopentyl 2-methyl-5-oxidanylidene-7-phenyl-4-pyridin-1-ium-3-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: cyclopentyl 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 cyclopentyl ester IUPAC Name: cyclopentyl 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 cyclopentyl ester Formula: C27H29N2O3+ MolecularWeight: 429.53076

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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)OC5CCCC5

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=C[NH+]=CC=C4)C(=O)OC5CCCC5

InChI

InChI=1S/C27H28N2O3/c1-17-24(27(31)32-21-11-5-6-12-21)25(19-10-7-13-28-16-19)26-22(29-17)14-20(15-23(26)30)18-8-3-2-4-9-18/h2-4,7-10,13-14,16,20-21,25-26,29H,5-6,11-12,15H2,1H3/p+1