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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-phenylpyridin-1-ium-1-yl)ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-phenyl-1-pyridin-1-iumyl)acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide Formula: C22H20N3OS+ MolecularWeight: 374.4787

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3OS/c23-13-19-18-10-4-5-11-20(18)27-22(19)24-21(26)15-25-12-6-9-17(14-25)16-7-2-1-3-8-16/h1-3,6-9,12,14H,4-5,10-11,15H2/p+1