6-(phenylmethyl)-2-(thiophen-2-ylcarbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide

Systemtic Name: 6-(phenylmethyl)-2-(thiophen-2-ylcarbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 6-benzyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 2-[[oxo(thiophen-2-yl)methyl]amino]-6-(phenylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 6-benzyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 6-benzyl-2-(2-thenoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C20H20N3O2S2+ MolecularWeight: 398.5217

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C1C(=C(S2)NC(=O)C3=CC=CS3)C(=O)N)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC2=C1C(=C(S2)NC(=O)C3=CC=CS3)C(=O)N)CC4=CC=CC=C4

InChI

InChI=1S/C20H19N3O2S2/c21-18(24)17-14-8-9-23(11-13-5-2-1-3-6-13)12-16(14)27-20(17)22-19(25)15-7-4-10-26-15/h1-7,10H,8-9,11-12H2,(H2,21,24)(H,22,25)/p+1