[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(1-methylimidazol-2-yl)methyl]-propan-2-yl-azanium

Systemtic Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(1-methylimidazol-2-yl)methyl]-propan-2-yl-azanium Openeye Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-isopropyl-[(1-methylimidazol-2-yl)methyl]ammonium CAS Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(1-methyl-2-imidazolyl)methyl]-propan-2-ylammonium IUPAC Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(1-methylimidazol-2-yl)methyl]-propan-2-ylazanium Traditional Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-isopropyl-[(1-methylimidazol-2-yl)methyl]ammonium Formula: C20H28N5+ MolecularWeight: 338.46982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+](CC3=NC=CN3C)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+](CC3=NC=CN3C)C(C)C)C

InChI

InChI=1S/C20H27N5/c1-14(2)25(13-19-21-8-9-24(19)5)12-18-11-22-23-20(18)17-7-6-15(3)16(4)10-17/h6-11,14H,12-13H2,1-5H3,(H,22,23)/p+1