3-chloranyl-N-(3-cyano-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-(3-cyano-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(3-cyano-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)benzothiophene-2-carboxamide CAS Name: 3-chloro-N-(3-cyano-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(3-cyano-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(3-cyano-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)benzothiophene-2-carboxamide Formula: C20H19ClN3OS2+ MolecularWeight: 416.96736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3OS2/c1-11(2)24-8-7-12-14(9-22)20(27-16(12)10-24)23-19(25)18-17(21)13-5-3-4-6-15(13)26-18/h3-6,11H,7-8,10H2,1-2H3,(H,23,25)/p+1