6-methyl-2-[(2-phenylquinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide

Systemtic Name: 6-methyl-2-[(2-phenylquinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 6-methyl-2-[(2-phenylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 6-methyl-2-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 6-methyl-2-[(2-phenylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 6-methyl-2-[(2-phenylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C25H23N4O2S+ MolecularWeight: 443.54072

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C25H22N4O2S/c1-29-12-11-17-21(14-29)32-25(22(17)23(26)30)28-24(31)18-13-20(15-7-3-2-4-8-15)27-19-10-6-5-9-16(18)19/h2-10,13H,11-12,14H2,1H3,(H2,26,30)(H,28,31)/p+1