N-(2,3-dimethylphenyl)-2-[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]ethanamide Openeye Name: 2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[[2-(4-benzoyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O3/c1-17-7-6-10-20(18(17)2)25-21(28)15-24-22(29)16-26-11-13-27(14-12-26)23(30)19-8-4-3-5-9-19/h3-10H,11-16H2,1-2H3,(H,24,29)(H,25,28)/p+1