[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-methyl-[(1S)-1-pyrimidin-4-ylethyl]azanium

Systemtic Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-methyl-[(1S)-1-pyrimidin-4-ylethyl]azanium Openeye Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-methyl-[(1S)-1-pyrimidin-4-ylethyl]ammonium CAS Name: [1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl-methyl-[(1S)-1-(4-pyrimidinyl)ethyl]ammonium IUPAC Name: [1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-methyl-[(1S)-1-pyrimidin-4-ylethyl]azanium Traditional Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-methyl-[(1S)-1-(4-pyrimidyl)ethyl]ammonium Formula: C25H28N5+ MolecularWeight: 398.52332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH+](C)C(C)C4=NC=NC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH+](C)[C@@H](C)C4=NC=NC=C4

InChI

InChI=1S/C25H27N5/c1-18-10-11-19(2)24(14-18)30-16-22(25(28-30)21-8-6-5-7-9-21)15-29(4)20(3)23-12-13-26-17-27-23/h5-14,16-17,20H,15H2,1-4H3/p+1/t20-/m0/s1