[(S)-(1-methylpyrazol-4-yl)-(2,4,6-trimethylphenyl)methyl]azanium

Systemtic Name: [(S)-(1-methylpyrazol-4-yl)-(2,4,6-trimethylphenyl)methyl]azanium Openeye Name: [(S)-(1-methylpyrazol-4-yl)-(2,4,6-trimethylphenyl)methyl]ammonium CAS Name: [(S)-(1-methyl-4-pyrazolyl)-(2,4,6-trimethylphenyl)methyl]ammonium IUPAC Name: [(S)-(1-methylpyrazol-4-yl)-(2,4,6-trimethylphenyl)methyl]azanium Traditional Name: [(S)-mesityl-(1-methylpyrazol-4-yl)methyl]ammonium Formula: C14H20N3+ MolecularWeight: 230.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(C2=CN(N=C2)C)[NH3+])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)[C@@H](C2=CN(N=C2)C)[NH3+])C

InChI

InChI=1S/C14H19N3/c1-9-5-10(2)13(11(3)6-9)14(15)12-7-16-17(4)8-12/h5-8,14H,15H2,1-4H3/p+1/t14-/m1/s1