4-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: 4-[[2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: 4-[[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C19H22N5O4+ MolecularWeight: 384.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O4/c20-19(26)14-1-3-15(4-2-14)21-18(25)13-22-9-11-23(12-10-22)16-5-7-17(8-6-16)24(27)28/h1-8H,9-13H2,(H2,20,26)(H,21,25)/p+1