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

Systemtic Name: 2-methylpropyl 2-methyl-5-oxidanylidene-7-phenyl-4-pyridin-1-ium-4-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: isobutyl 2-methyl-5-oxo-7-phenyl-4-pyridin-1-ium-4-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-5-oxo-7-phenyl-4-(4-pyridin-1-iumyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-methyl-5-oxo-7-phenyl-4-pyridin-1-ium-4-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-2-methyl-7-phenyl-4-pyridin-1-ium-4-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid isobutyl ester Formula: C26H29N2O3+ MolecularWeight: 417.52006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O3/c1-16(2)15-31-26(30)23-17(3)28-21-13-20(18-7-5-4-6-8-18)14-22(29)25(21)24(23)19-9-11-27-12-10-19/h4-13,16,20,24-25,28H,14-15H2,1-3H3/p+1