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

Systemtic Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(1R)-1-phenylethyl]azanium Openeye Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(1R)-1-phenylethyl]ammonium CAS Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(1R)-1-phenylethyl]ammonium IUPAC Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(1R)-1-phenylethyl]azanium Traditional Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(1R)-1-phenylethyl]ammonium Formula: C20H24N3+ MolecularWeight: 306.42466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH2+]C(C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH2+][C@H](C)C3=CC=CC=C3)C

InChI

InChI=1S/C20H23N3/c1-14-9-10-18(11-15(14)2)20-19(13-22-23-20)12-21-16(3)17-7-5-4-6-8-17/h4-11,13,16,21H,12H2,1-3H3,(H,22,23)/p+1/t16-/m1/s1