2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C18H17ClN3O2S2+ MolecularWeight: 406.92948

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C18H16ClN3O2S2/c1-22-7-6-9-12(8-22)26-18(13(9)16(20)23)21-17(24)15-14(19)10-4-2-3-5-11(10)25-15/h2-5H,6-8H2,1H3,(H2,20,23)(H,21,24)/p+1