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

Systemtic Name: propan-2-yl 2-methylidene-5-oxidanylidene-7-phenyl-4-pyridin-1-ium-3-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: isopropyl 2-methylene-5-oxo-7-phenyl-4-pyridin-1-ium-3-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 2-methylene-5-oxo-7-phenyl-4-(3-pyridin-1-iumyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-methylidene-5-oxo-7-phenyl-4-pyridin-1-ium-3-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 5-keto-2-methylene-7-phenyl-4-pyridin-1-ium-3-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid isopropyl ester Formula: C25H27N2O3+ MolecularWeight: 403.49348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O3/c1-15(2)30-25(29)22-16(3)27-20-12-19(17-8-5-4-6-9-17)13-21(28)24(20)23(22)18-10-7-11-26-14-18/h4-11,14-15,19,22-23,27H,3,12-13H2,1-2H3/p+1