[(1,5-dimethyl-2-phenyl-3H-pyrazol-4-yl)-methyl-azaniumyl]methanesulfonate

Systemtic Name: [(1,5-dimethyl-2-phenyl-3H-pyrazol-4-yl)-methyl-azaniumyl]methanesulfonate Openeye Name: [(1,5-dimethyl-2-phenyl-3H-pyrazol-4-yl)-methyl-ammonio]methanesulfonate CAS Name: [(1,5-dimethyl-2-phenyl-3H-pyrazol-4-yl)-methylammonio]methanesulfonate IUPAC Name: [(1,5-dimethyl-2-phenyl-3H-pyrazol-4-yl)-methylazaniumyl]methanesulfonate Traditional Name: [(2,3-dimethyl-1-phenyl-3-pyrazolin-4-yl)-methyl-ammonio]methanesulfonate Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CN(N1C)C2=CC=CC=C2)[NH+](C)CS(=O)(=O)[O-]

Isomeric SMILES

CC1=C(CN(N1C)C2=CC=CC=C2)[NH+](C)CS(=O)(=O)[O-]

InChI

InChI=1S/C13H19N3O3S/c1-11-13(14(2)10-20(17,18)19)9-16(15(11)3)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,17,18,19)