2-methylpropyl 2-methylidene-5-oxidanylidene-7-phenyl-4-pyridin-1-ium-4-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

Systemtic Name: 2-methylpropyl 2-methylidene-5-oxidanylidene-7-phenyl-4-pyridin-1-ium-4-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: isobutyl 2-methylene-5-oxo-7-phenyl-4-pyridin-1-ium-4-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 2-methylene-5-oxo-7-phenyl-4-(4-pyridin-1-iumyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-methylidene-5-oxo-7-phenyl-4-pyridin-1-ium-4-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 5-keto-2-methylene-7-phenyl-4-pyridin-1-ium-4-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid isobutyl ester Formula: C26H29N2O3+ MolecularWeight: 417.52006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CC=C3)NC1=C)C4=CC=[NH+]C=C4

Isomeric SMILES

CC(C)COC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CC=C3)NC1=C)C4=CC=[NH+]C=C4

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/h4-12,16,20,23-24,28H,3,13-15H2,1-2H3/p+1