4-[2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: 4-[[2-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: 4-[[2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C20H22ClN4O3+ MolecularWeight: 401.86668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)C(=O)N)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)C(=O)N)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H21ClN4O3/c21-17-4-2-1-3-16(17)20(28)25-11-9-24(10-12-25)13-18(26)23-15-7-5-14(6-8-15)19(22)27/h1-8H,9-13H2,(H2,22,27)(H,23,26)/p+1