2-methylidene-N-(3-methylpyridin-1-ium-2-yl)-4-(4-methylsulfanylphenyl)-5-oxidanylidene-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxamide

Systemtic Name: 2-methylidene-N-(3-methylpyridin-1-ium-2-yl)-4-(4-methylsulfanylphenyl)-5-oxidanylidene-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxamide Openeye Name: 2-methylene-N-(3-methylpyridin-1-ium-2-yl)-4-(4-methylsulfanylphenyl)-5-oxo-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxamide CAS Name: 2-methylene-N-(3-methyl-2-pyridin-1-iumyl)-4-[4-(methylthio)phenyl]-5-oxo-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxamide IUPAC Name: 2-methylidene-N-(3-methylpyridin-1-ium-2-yl)-4-(4-methylsulfanylphenyl)-5-oxo-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxamide Traditional Name: 5-keto-2-methylene-N-(3-methylpyridin-1-ium-2-yl)-4-[4-(methylthio)phenyl]-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxamide Formula: C30H30N3O2S+ MolecularWeight: 496.6431

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=CC=C1)NC(=O)C2C(C3=C(CC(CC3=O)C4=CC=CC=C4)NC2=C)C5=CC=C(C=C5)SC

Isomeric SMILES

CC1=C([NH+]=CC=C1)NC(=O)C2C(C3=C(CC(CC3=O)C4=CC=CC=C4)NC2=C)C5=CC=C(C=C5)SC

InChI

InChI=1S/C30H29N3O2S/c1-18-8-7-15-31-29(18)33-30(35)26-19(2)32-24-16-22(20-9-5-4-6-10-20)17-25(34)28(24)27(26)21-11-13-23(36-3)14-12-21/h4-15,22,26-27,32H,2,16-17H2,1,3H3,(H,31,33,35)/p+1