1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]-4-[(1-methylimidazol-2-yl)methyl]piperazin-4-ium

Systemtic Name: 1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]-4-[(1-methylimidazol-2-yl)methyl]piperazin-4-ium Openeye Name: 1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]-4-[(1-methylimidazol-2-yl)methyl]piperazin-4-ium CAS Name: 1-[[1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl]-4-[(1-methyl-2-imidazolyl)methyl]piperazin-4-ium IUPAC Name: 1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]-4-[(1-methylimidazol-2-yl)methyl]piperazin-4-ium Traditional Name: 1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]-4-[(1-methylimidazol-2-yl)methyl]piperazin-4-ium Formula: C27H33N6+ MolecularWeight: 441.59112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)CN4CC[NH+](CC4)CC5=NC=CN5C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)CN4CC[NH+](CC4)CC5=NC=CN5C

InChI

InChI=1S/C27H32N6/c1-21-9-10-22(2)25(17-21)33-19-24(27(29-33)23-7-5-4-6-8-23)18-31-13-15-32(16-14-31)20-26-28-11-12-30(26)3/h4-12,17,19H,13-16,18,20H2,1-3H3/p+1