N-(3-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzamide

Systemtic Name: N-(3-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzamide Openeye Name: N-(3-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzamide CAS Name: N-(3-chlorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)-5-nitrobenzamide IUPAC Name: N-(3-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitrobenzamide Traditional Name: N-(3-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-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-])C(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

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