N-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]benzamide

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]benzamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]benzamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)-5-nitrophenyl]benzamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitrophenyl]benzamide Traditional Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]benzamide Formula: C18H21N4O3+ MolecularWeight: 341.38434

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20N4O3/c1-20-9-11-21(12-10-20)17-8-7-15(22(24)25)13-16(17)19-18(23)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,19,23)/p+1