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

Systemtic Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[4-(2-keto-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]acetamide Formula: C22H24N5O2S+ MolecularWeight: 422.52326

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)SC(=C2C#N)NC(=O)C[NH+]3CCC(CC3)N4C5=CC=CC=C5NC4=O

Isomeric SMILES

C1CC2=C(C1)SC(=C2C#N)NC(=O)C[NH+]3CCC(CC3)N4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C22H23N5O2S/c23-12-16-15-4-3-7-19(15)30-21(16)25-20(28)13-26-10-8-14(9-11-26)27-18-6-2-1-5-17(18)24-22(27)29/h1-2,5-6,14H,3-4,7-11,13H2,(H,24,29)(H,25,28)/p+1