4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(4-methylpiperazin-4-ium-1-yl)benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(4-methylpiperazin-4-ium-1-yl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(4-methylpiperazin-4-ium-1-yl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(4-methyl-1-piperazin-4-iumyl)benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(4-methylpiperazin-4-ium-1-yl)benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(4-methylpiperazin-4-ium-1-yl)benzamide Formula: C18H25N6O3+ MolecularWeight: 373.4295

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NN3CC[NH+](CC3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NN3CC[NH+](CC3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O3/c1-13-17(24(26)27)14(2)23(19-13)12-15-4-6-16(7-5-15)18(25)20-22-10-8-21(3)9-11-22/h4-7H,8-12H2,1-3H3,(H,20,25)/p+1