4-[[4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(oxo)methyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C20H22N3OS+ MolecularWeight: 352.47318

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)SC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC2=C(C1)SC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H21N3OS/c21-13-15-4-6-16(7-5-15)14-22-8-10-23(11-9-22)20(24)19-12-17-2-1-3-18(17)25-19/h4-7,12H,1-3,8-11,14H2/p+1