1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(o-tolylmethyl)piperazine-1,4-diium CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(2-methylbenzyl)piperazine-1,4-diium Formula: C18H27N5O2+2 MolecularWeight: 345.43928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C18H25N5O2/c1-14-6-4-5-7-17(14)12-20-8-10-21(11-9-20)13-22-16(3)18(23(24)25)15(2)19-22/h4-7H,8-13H2,1-3H3/p+2