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

Systemtic Name: methyl 2-methylidene-5-oxidanylidene-7-phenyl-4-pyridin-1-ium-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: methyl 2-methylene-5-oxo-7-phenyl-4-pyridin-1-ium-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 2-methylene-5-oxo-7-phenyl-4-(2-pyridin-1-iumyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-methylidene-5-oxo-7-phenyl-4-pyridin-1-ium-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 5-keto-2-methylene-7-phenyl-4-pyridin-1-ium-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid methyl ester Formula: C23H23N2O3+ MolecularWeight: 375.44032

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CC=C3)NC1=C)C4=CC=CC=[NH+]4

Isomeric SMILES

COC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CC=C3)NC1=C)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H22N2O3/c1-14-20(23(27)28-2)22(17-10-6-7-11-24-17)21-18(25-14)12-16(13-19(21)26)15-8-4-3-5-9-15/h3-11,16,20,22,25H,1,12-13H2,2H3/p+1