[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2S)-2-oxidanylpropyl]azanium Openeye Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2S)-2-hydroxypropyl]ammonium CAS Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2S)-2-hydroxypropyl]ammonium IUPAC Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2S)-2-hydroxypropyl]azanium Traditional Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2S)-2-hydroxypropyl]ammonium Formula: C15H22N3O+ MolecularWeight: 260.35468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O/c1-10-4-5-13(6-11(10)2)15-14(9-17-18-15)8-16-7-12(3)19/h4-6,9,12,16,19H,7-8H2,1-3H3,(H,17,18)/p+1/t12-/m0/s1