N-(2,4-dimethoxyphenyl)-5-nitro-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]benzamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-5-nitro-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-(2,4-dimethoxyphenyl)-5-nitro-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]benzamide CAS Name: N-(2,4-dimethoxyphenyl)-5-nitro-2-[[1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]amino]benzamide IUPAC Name: N-(2,4-dimethoxyphenyl)-5-nitro-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: N-(2,4-dimethoxyphenyl)-5-nitro-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Formula: C27H30N5O6+ MolecularWeight: 520.557

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5O6/c1-37-21-9-11-24(25(17-21)38-2)29-27(34)22-16-20(32(35)36)8-10-23(22)28-26(33)18-30-12-14-31(15-13-30)19-6-4-3-5-7-19/h3-11,16-17H,12-15,18H2,1-2H3,(H,28,33)(H,29,34)/p+1