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

Systemtic Name: 2-chloranyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]benzamide Openeye Name: 2-chloro-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]benzamide CAS Name: 2-chloro-N-[2-(4-methyl-1-piperazin-4-iumyl)-5-nitrophenyl]benzamide IUPAC Name: 2-chloro-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitrophenyl]benzamide Traditional Name: 2-chloro-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]benzamide Formula: C18H20ClN4O3+ MolecularWeight: 375.8294

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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=C3Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H19ClN4O3/c1-21-8-10-22(11-9-21)17-7-6-13(23(25)26)12-16(17)20-18(24)14-4-2-3-5-15(14)19/h2-7,12H,8-11H2,1H3,(H,20,24)/p+1