1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-4-methyl-piperazin-4-ium CAS Name: 1-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]-4-methylpiperazin-4-ium Traditional Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-4-methyl-piperazin-4-ium Formula: C16H22N5O2+ MolecularWeight: 316.37818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=CC(=C2)N3CC[NH+](CC3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=CC(=C2)N3CC[NH+](CC3)C)[N+](=O)[O-])C

InChI

InChI=1S/C16H21N5O2/c1-12-10-13(2)20(17-12)16-11-14(4-5-15(16)21(22)23)19-8-6-18(3)7-9-19/h4-5,10-11H,6-9H2,1-3H3/p+1