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

Systemtic Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2R)-2-ethylhexyl]azanium Openeye Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2R)-2-ethylhexyl]ammonium CAS Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2R)-2-ethylhexyl]ammonium IUPAC Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2R)-2-ethylhexyl]azanium Traditional Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2R)-2-ethylhexyl]ammonium Formula: C20H32N3+ MolecularWeight: 314.48818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH2+]CC1=C(NN=C1)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCC[C@@H](CC)C[NH2+]CC1=C(NN=C1)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C20H31N3/c1-5-7-8-17(6-2)12-21-13-19-14-22-23-20(19)18-10-9-15(3)16(4)11-18/h9-11,14,17,21H,5-8,12-13H2,1-4H3,(H,22,23)/p+1/t17-/m1/s1