[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-methyl-[2-(1-methylpyrazol-4-yl)ethyl]azanium

Systemtic Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-methyl-[2-(1-methylpyrazol-4-yl)ethyl]azanium Openeye Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-methyl-[2-(1-methylpyrazol-4-yl)ethyl]ammonium CAS Name: [1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl-methyl-[2-(1-methyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: [1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-methyl-[2-(1-methylpyrazol-4-yl)ethyl]azanium Traditional Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-methyl-[2-(1-methylpyrazol-4-yl)ethyl]ammonium Formula: C25H30N5+ MolecularWeight: 400.5392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH+](C)CCC4=CN(N=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH+](C)CCC4=CN(N=C4)C

InChI

InChI=1S/C25H29N5/c1-19-10-11-20(2)24(14-19)30-18-23(25(27-30)22-8-6-5-7-9-22)17-28(3)13-12-21-15-26-29(4)16-21/h5-11,14-16,18H,12-13,17H2,1-4H3/p+1