2,7,7-trimethyl-N-(5-methylpyridin-1-ium-2-yl)-4-(3-methylthiophen-2-yl)-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxamide

Systemtic Name: 2,7,7-trimethyl-N-(5-methylpyridin-1-ium-2-yl)-4-(3-methylthiophen-2-yl)-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxamide Openeye Name: 2,7,7-trimethyl-N-(5-methylpyridin-1-ium-2-yl)-4-(3-methyl-2-thienyl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxamide CAS Name: 2,7,7-trimethyl-N-(5-methyl-2-pyridin-1-iumyl)-4-(3-methyl-2-thiophenyl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxamide IUPAC Name: 2,7,7-trimethyl-N-(5-methylpyridin-1-ium-2-yl)-4-(3-methylthiophen-2-yl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxamide Traditional Name: 5-keto-2,7,7-trimethyl-N-(5-methylpyridin-1-ium-2-yl)-4-(3-methyl-2-thienyl)-1,4,4a,6-tetrahydroquinoline-3-carboxamide Formula: C24H28N3O2S+ MolecularWeight: 422.56302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(C=C1)NC(=O)C2=C(NC3=CC(CC(=O)C3C2C4=C(C=CS4)C)(C)C)C

Isomeric SMILES

CC1=C[NH+]=C(C=C1)NC(=O)C2=C(NC3=CC(CC(=O)C3C2C4=C(C=CS4)C)(C)C)C

InChI

InChI=1S/C24H27N3O2S/c1-13-6-7-18(25-12-13)27-23(29)19-15(3)26-16-10-24(4,5)11-17(28)20(16)21(19)22-14(2)8-9-30-22/h6-10,12,20-21,26H,11H2,1-5H3,(H,25,27,29)/p+1