N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]acetamide Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3)C

InChI

InChI=1S/C22H26N4O2S/c1-17-13-18(2)15-19(14-17)26(7-4-6-23)21(27)16-24-8-10-25(11-9-24)22(28)20-5-3-12-29-20/h3,5,12-15H,4,7-11,16H2,1-2H3/p+1