7,7-dimethyl-2-methylidene-4-(4-methylsulfanylphenyl)-5-oxidanylidene-N-pyridin-1-ium-2-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide

Systemtic Name: 7,7-dimethyl-2-methylidene-4-(4-methylsulfanylphenyl)-5-oxidanylidene-N-pyridin-1-ium-2-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide Openeye Name: 7,7-dimethyl-2-methylene-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-1-ium-2-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide CAS Name: 7,7-dimethyl-2-methylene-4-[4-(methylthio)phenyl]-5-oxo-N-(2-pyridin-1-iumyl)-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide IUPAC Name: 7,7-dimethyl-2-methylidene-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-1-ium-2-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide Traditional Name: 5-keto-7,7-dimethyl-2-methylene-4-[4-(methylthio)phenyl]-N-pyridin-1-ium-2-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide Formula: C25H28N3O2S+ MolecularWeight: 434.57372

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(C(=C)N2)C(=O)NC3=CC=CC=[NH+]3)C4=CC=C(C=C4)SC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(C(=C)N2)C(=O)NC3=CC=CC=[NH+]3)C4=CC=C(C=C4)SC)C(=O)C1)C

InChI

InChI=1S/C25H27N3O2S/c1-15-21(24(30)28-20-7-5-6-12-26-20)22(16-8-10-17(31-4)11-9-16)23-18(27-15)13-25(2,3)14-19(23)29/h5-12,21-22,27H,1,13-14H2,2-4H3,(H,26,28,30)/p+1