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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-ethanoylpyridin-1-ium-1-yl)ethanamide Openeye Name: 2-(3-acetylpyridin-1-ium-1-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: 2-(3-acetyl-1-pyridin-1-iumyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide IUPAC Name: 2-(3-acetylpyridin-1-ium-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-(3-acetylpyridin-1-ium-1-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C18H18N3O2S+ MolecularWeight: 340.41942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C[N+](=CC=C1)CC(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CC(=O)C1=C[N+](=CC=C1)CC(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C18H17N3O2S/c1-12(22)13-5-4-8-21(10-13)11-17(23)20-18-15(9-19)14-6-2-3-7-16(14)24-18/h4-5,8,10H,2-3,6-7,11H2,1H3/p+1