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

Systemtic Name: 6-methyl-2-(2-phenylsulfanylethanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 6-methyl-2-[(2-phenylsulfanylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 6-methyl-2-[[1-oxo-2-(phenylthio)ethyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 6-methyl-2-[(2-phenylsulfanylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 6-methyl-2-[[2-(phenylthio)acetyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C17H20N3O2S2+ MolecularWeight: 362.4896

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C17H19N3O2S2/c1-20-8-7-12-13(9-20)24-17(15(12)16(18)22)19-14(21)10-23-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H2,18,22)(H,19,21)/p+1