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

Systemtic Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-4-ium Openeye Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-4-ium CAS Name: 1-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]piperazin-4-ium IUPAC Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-4-ium Traditional Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-4-ium Formula: C15H20N5O2+ MolecularWeight: 302.3516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=CC(=C2)N3CC[NH2+]CC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=CC(=C2)N3CC[NH2+]CC3)[N+](=O)[O-])C

InChI

InChI=1S/C15H19N5O2/c1-11-9-12(2)19(17-11)15-10-13(3-4-14(15)20(21)22)18-7-5-16-6-8-18/h3-4,9-10,16H,5-8H2,1-2H3/p+1