N-(2,3-dimethylphenyl)-2-[4-(2-thiophen-2-ylcarbonylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-(2-thiophen-2-ylcarbonylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[oxo-[2-[oxo(thiophen-2-yl)methyl]phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[2-(2-thenoyl)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C26H28N3O3S+ MolecularWeight: 462.58382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CS4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CS4)C

InChI

InChI=1S/C26H27N3O3S/c1-18-7-5-10-22(19(18)2)27-24(30)17-28-12-14-29(15-13-28)26(32)21-9-4-3-8-20(21)25(31)23-11-6-16-33-23/h3-11,16H,12-15,17H2,1-2H3,(H,27,30)/p+1