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

Systemtic Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4OS/c22-15-18-17-7-4-8-19(17)27-21(18)23-20(26)9-10-24-11-13-25(14-12-24)16-5-2-1-3-6-16/h1-3,5-6H,4,7-14H2,(H,23,26)/p+1