N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-hydroxy-1-pyridin-1-iumyl)acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide Formula: C16H16N3O2S+ MolecularWeight: 314.38214

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C[N+]3=CC=CC(=C3)O)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C[N+]3=CC=CC(=C3)O)C#N

InChI

InChI=1S/C16H15N3O2S/c17-8-13-12-5-1-2-6-14(12)22-16(13)18-15(21)10-19-7-3-4-11(20)9-19/h3-4,7,9H,1-2,5-6,10H2,(H-,18,20,21)/p+1