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

Systemtic Name: 1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazine-1,4-diium Openeye Name: 1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazine-1,4-diium CAS Name: 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]piperazine-1,4-diium Traditional Name: 1-(4,5-dimethoxy-2-methyl-benzyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazine-1,4-diium Formula: C20H31N5O4+2 MolecularWeight: 405.49124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O4/c1-14-10-18(28-4)19(29-5)11-17(14)12-22-6-8-23(9-7-22)13-24-16(3)20(25(26)27)15(2)21-24/h10-11H,6-9,12-13H2,1-5H3/p+2