N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C23H26N4O2S/c1-16(28)17-6-8-18(9-7-17)27-12-10-26(11-13-27)15-22(29)25-23-20(14-24)19-4-2-3-5-21(19)30-23/h6-9H,2-5,10-13,15H2,1H3,(H,25,29)/p+1