[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: [5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl-[(2S)-2-oxidanylpropyl]azanium Openeye Name: [(2S)-2-hydroxypropyl]-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]ammonium CAS Name: [(2S)-2-hydroxypropyl]-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]ammonium IUPAC Name: [(2S)-2-hydroxypropyl]-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azanium Traditional Name: [(2S)-2-hydroxypropyl]-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]ammonium Formula: C14H20N3O+ MolecularWeight: 246.3281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O/c1-10-3-5-12(6-4-10)14-13(9-16-17-14)8-15-7-11(2)18/h3-6,9,11,15,18H,7-8H2,1-2H3,(H,16,17)/p+1/t11-/m0/s1