[(2,3-dimethyl-1-phenyl-pyrazolidin-4-ylidene)-methyl-azaniumyl]methanesulfonate

Systemtic Name: [(2,3-dimethyl-1-phenyl-pyrazolidin-4-ylidene)-methyl-azaniumyl]methanesulfonate Openeye Name: [(2,3-dimethyl-1-phenyl-pyrazolidin-4-ylidene)-methyl-ammonio]methanesulfonate CAS Name: [(2,3-dimethyl-1-phenyl-4-pyrazolidinylidene)-methylammonio]methanesulfonate IUPAC Name: [(2,3-dimethyl-1-phenylpyrazolidin-4-ylidene)-methylazaniumyl]methanesulfonate Traditional Name: [(2,3-dimethyl-1-phenyl-pyrazolidin-4-ylidene)-methyl-ammonio]methanesulfonate Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=[N+](C)CS(=O)(=O)[O-])CN(N1C)C2=CC=CC=C2

Isomeric SMILES

CC1C(=[N+](C)CS(=O)(=O)[O-])CN(N1C)C2=CC=CC=C2

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/h4-8,11H,9-10H2,1-3H3