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

Systemtic Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[4-(m-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[4-(m-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=C(C4=C(S3)CCC4)C#N

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=C(C4=C(S3)CCC4)C#N

InChI

InChI=1S/C21H24N4OS/c1-15-4-2-5-16(12-15)25-10-8-24(9-11-25)14-20(26)23-21-18(13-22)17-6-3-7-19(17)27-21/h2,4-5,12H,3,6-11,14H2,1H3,(H,23,26)/p+1