N-(3-cyanothiophen-2-yl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-cyanothiophen-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-2-thienyl)acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-(3-cyano-2-thiophenyl)acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(3-cyanothiophen-2-yl)acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(3-cyano-2-thienyl)acetamide Formula: C19H21N4O2S+ MolecularWeight: 369.46064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C19H20N4O2S/c1-14(24)15-2-4-17(5-3-15)23-9-7-22(8-10-23)13-18(25)21-19-16(12-20)6-11-26-19/h2-6,11H,7-10,13H2,1H3,(H,21,25)/p+1