4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Formula: C25H31N6O3+ MolecularWeight: 463.55204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3=CC=C(C=C3)CN4C(=C(C(=N4)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3=CC=C(C=C3)CN4C(=C(C(=N4)C)[N+](=O)[O-])C

InChI

InChI=1S/C25H30N6O3/c1-17-15-22(29-13-11-28(4)12-14-29)9-10-23(17)26-25(32)21-7-5-20(6-8-21)16-30-19(3)24(31(33)34)18(2)27-30/h5-10,15H,11-14,16H2,1-4H3,(H,26,32)/p+1