N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide CAS Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide Traditional Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide Formula: C22H20N3OS+ MolecularWeight: 374.4787

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)SC(=C2C#N)NC(=O)C[N+]3=CC=C(C=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C1)SC(=C2C#N)NC(=O)C[N+]3=CC=C(C=C3)CC4=CC=CC=C4

InChI

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