[(1S)-1-(3,4-dimethylphenyl)-2-pyrazol-1-yl-ethyl]azanium

Systemtic Name: [(1S)-1-(3,4-dimethylphenyl)-2-pyrazol-1-yl-ethyl]azanium Openeye Name: [(1S)-1-(3,4-dimethylphenyl)-2-pyrazol-1-yl-ethyl]ammonium CAS Name: [(1S)-1-(3,4-dimethylphenyl)-2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: [(1S)-1-(3,4-dimethylphenyl)-2-pyrazol-1-ylethyl]azanium Traditional Name: [(1S)-1-(3,4-dimethylphenyl)-2-pyrazol-1-yl-ethyl]ammonium Formula: C13H18N3+ MolecularWeight: 216.30212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(CN2C=CC=N2)[NH3+])C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@@H](CN2C=CC=N2)[NH3+])C

InChI

InChI=1S/C13H17N3/c1-10-4-5-12(8-11(10)2)13(14)9-16-7-3-6-15-16/h3-8,13H,9,14H2,1-2H3/p+1/t13-/m1/s1