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

Systemtic Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzhydrylpiperazin-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-(diphenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide Traditional Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide Formula: C27H29N4OS+ MolecularWeight: 457.61036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)SC(=C2C#N)NC(=O)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C1)SC(=C2C#N)NC(=O)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4OS/c28-18-23-22-12-7-13-24(22)33-27(23)29-25(32)19-30-14-16-31(17-15-30)26(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,26H,7,12-17,19H2,(H,29,32)/p+1