N-(4-methoxyphenyl)-2-[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-(4-methoxyphenyl)-2-[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: 2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide CAS Name: 2-[[2-(4-benzoyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide IUPAC Name: 2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide Traditional Name: 2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide Formula: C27H29N4O4+ MolecularWeight: 473.54356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O4/c1-35-22-13-11-21(12-14-22)28-26(33)23-9-5-6-10-24(23)29-25(32)19-30-15-17-31(18-16-30)27(34)20-7-3-2-4-8-20/h2-14H,15-19H2,1H3,(H,28,33)(H,29,32)/p+1