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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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