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

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(2-methoxy-5-methyl-benzyl)piperazine-1,4-diium Formula: C19H29N5O3+2 MolecularWeight: 375.46526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H27N5O3/c1-14-5-6-18(27-4)17(11-14)12-21-7-9-22(10-8-21)13-23-16(3)19(24(25)26)15(2)20-23/h5-6,11H,7-10,12-13H2,1-4H3/p+2