[2-(2-chloranylethanoylamino)-3-methyl-phenyl]methyl-dimethyl-sulfanium; methyl sulfate

Systemtic Name: [2-(2-chloranylethanoylamino)-3-methyl-phenyl]methyl-dimethyl-sulfanium; methyl sulfate Openeye Name: [2-[(2-chloroacetyl)amino]-3-methyl-phenyl]methyl-dimethyl-sulfonium; methyl sulfate CAS Name: [2-[(2-chloro-1-oxoethyl)amino]-3-methylphenyl]methyl-dimethylsulfonium; methyl sulfate IUPAC Name: [2-[(2-chloroacetyl)amino]-3-methylphenyl]methyl-dimethylsulfanium; methyl sulfate Traditional Name: [2-[(2-chloroacetyl)amino]-3-methyl-benzyl]-dimethyl-sulfonium; methyl sulfate Formula: C13H20ClNO5S2 MolecularWeight: 369.8846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C[S+](C)C)NC(=O)CCl.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C[S+](C)C)NC(=O)CCl.COS(=O)(=O)[O-]

InChI

InChI=1S/C12H16ClNOS.CH4O4S/c1-9-5-4-6-10(8-16(2)3)12(9)14-11(15)7-13;1-5-6(2,3)4/h4-6H,7-8H2,1-3H3;1H3,(H,2,3,4)