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

Systemtic Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-4-ethyl-piperazin-4-ium Openeye Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-4-ethyl-piperazin-4-ium CAS Name: 1-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-4-ethylpiperazin-4-ium IUPAC Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]-4-ethylpiperazin-4-ium Traditional Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-4-ethyl-piperazin-4-ium Formula: C17H24N5O2+ MolecularWeight: 330.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=CC(=N3)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=CC(=N3)C)C

InChI

InChI=1S/C17H23N5O2/c1-4-19-7-9-20(10-8-19)15-5-6-16(22(23)24)17(12-15)21-14(3)11-13(2)18-21/h5-6,11-12H,4,7-10H2,1-3H3/p+1