N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-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-dimethyl-2-thienyl)acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-(3-cyano-4,5-dimethyl-2-thiophenyl)acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(3-cyano-4,5-dimethyl-2-thienyl)acetamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C

InChI

InChI=1S/C21H24N4O2S/c1-14-16(3)28-21(19(14)12-22)23-20(27)13-24-8-10-25(11-9-24)18-6-4-17(5-7-18)15(2)26/h4-7H,8-11,13H2,1-3H3,(H,23,27)/p+1