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

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-p-anisyl-piperazine-1,4-diium Formula: C18H27N5O3+2 MolecularWeight: 361.43868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O3/c1-14-18(23(24)25)15(2)22(19-14)13-21-10-8-20(9-11-21)12-16-4-6-17(26-3)7-5-16/h4-7H,8-13H2,1-3H3/p+2