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

Systemtic Name: [(S)-(2,4-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]azanium Openeye Name: [(S)-(2,4-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: [(S)-(2,4-dimethylphenyl)-(1-methyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [(S)-(2,4-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]azanium Traditional Name: [(S)-(2,4-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ammonium Formula: C13H18N3+ MolecularWeight: 216.30212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3/c1-9-4-5-12(10(2)6-9)13(14)11-7-15-16(3)8-11/h4-8,13H,14H2,1-3H3/p+1/t13-/m1/s1