N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpyridin-1-ium-1-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: 2-(4-benzoyl-1-pyridin-1-iumyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide IUPAC Name: 2-(4-benzoylpyridin-1-ium-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-(4-benzoylpyridin-1-ium-1-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C23H20N3O2S+ MolecularWeight: 402.4888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C[N+]3=CC=C(C=C3)C(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C[N+]3=CC=C(C=C3)C(=O)C4=CC=CC=C4)C#N

InChI

InChI=1S/C23H19N3O2S/c24-14-19-18-8-4-5-9-20(18)29-23(19)25-21(27)15-26-12-10-17(11-13-26)22(28)16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9,15H2/p+1