2-[4-(5-acetamidothiophen-2-yl)carbonylpiperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(5-acetamidothiophen-2-yl)carbonylpiperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-(5-acetamidothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[(5-acetamido-2-thiophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-(5-acetamidothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-(5-acetamidothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(S3)NC(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(S3)NC(=O)C

InChI

InChI=1S/C21H26N4O3S/c1-14-5-4-6-15(2)20(14)23-18(27)13-24-9-11-25(12-10-24)21(28)17-7-8-19(29-17)22-16(3)26/h4-8H,9-13H2,1-3H3,(H,22,26)(H,23,27)/p+1