[(R)-(1-methylpyrazol-4-yl)-(3-methylsulfonylphenyl)methyl]azanium

Systemtic Name: [(R)-(1-methylpyrazol-4-yl)-(3-methylsulfonylphenyl)methyl]azanium Openeye Name: [(R)-(1-methylpyrazol-4-yl)-(3-methylsulfonylphenyl)methyl]ammonium CAS Name: [(R)-(1-methyl-4-pyrazolyl)-(3-methylsulfonylphenyl)methyl]ammonium IUPAC Name: [(R)-(1-methylpyrazol-4-yl)-(3-methylsulfonylphenyl)methyl]azanium Traditional Name: [(R)-(3-mesylphenyl)-(1-methylpyrazol-4-yl)methyl]ammonium Formula: C12H16N3O2S+ MolecularWeight: 266.33934

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(C2=CC(=CC=C2)S(=O)(=O)C)[NH3+]

Isomeric SMILES

CN1C=C(C=N1)[C@@H](C2=CC(=CC=C2)S(=O)(=O)C)[NH3+]

InChI

InChI=1S/C12H15N3O2S/c1-15-8-10(7-14-15)12(13)9-4-3-5-11(6-9)18(2,16)17/h3-8,12H,13H2,1-2H3/p+1/t12-/m1/s1