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

Systemtic Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propanamide Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide CAS Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propanamide IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propionamide Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)SC(=C2C#N)NC(=O)CCN3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C1)SC(=C2C#N)NC(=O)CCN3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N4OS/c23-15-19-18-7-4-8-20(18)28-22(19)24-21(27)9-10-25-11-13-26(14-12-25)16-17-5-2-1-3-6-17/h1-3,5-6H,4,7-14,16H2,(H,24,27)/p+1