N-(4-methylpiperazin-4-ium-1-yl)-1-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methanimine

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-1-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methanimine Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-1-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methanimine CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-1-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]methanimine IUPAC Name: N-(4-methylpiperazin-4-ium-1-yl)-1-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methanimine Traditional Name: (Z)-(4-methylpiperazin-4-ium-1-yl)-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylene]amine Formula: C21H23N6O2+ MolecularWeight: 391.44632

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)N=CC2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)/N=C\C2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H22N6O2/c1-24-11-13-25(14-12-24)22-15-18-16-26(19-5-3-2-4-6-19)23-21(18)17-7-9-20(10-8-17)27(28)29/h2-10,15-16H,11-14H2,1H3/p+1/b22-15-