4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-phenyl-benzamide

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-phenyl-benzamide Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-phenyl-benzamide CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-nitro-N-phenylbenzamide IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-phenylbenzamide Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-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)C(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

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