2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoylamino]-N-(3-methylphenyl)benzamide

Systemtic Name: 2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoylamino]-N-(3-methylphenyl)benzamide Openeye Name: 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-(m-tolyl)benzamide CAS Name: 2-[[2-(4-acetyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-N-(3-methylphenyl)benzamide IUPAC Name: 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-(3-methylphenyl)benzamide Traditional Name: 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-(m-tolyl)benzamide Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C22H26N4O3/c1-16-6-5-7-18(14-16)23-22(29)19-8-3-4-9-20(19)24-21(28)15-25-10-12-26(13-11-25)17(2)27/h3-9,14H,10-13,15H2,1-2H3,(H,23,29)(H,24,28)/p+1