(3-azanyl-3-oxidanylidene-propyl)-dimethyl-sulfanium; 4-methylbenzenesulfonate

Systemtic Name: (3-azanyl-3-oxidanylidene-propyl)-dimethyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: (3-amino-3-oxo-propyl)-dimethyl-sulfonium; 4-methylbenzenesulfonate CAS Name: (3-amino-3-oxopropyl)-dimethylsulfonium; 4-methylbenzenesulfonate IUPAC Name: (3-amino-3-oxopropyl)-dimethylsulfanium; 4-methylbenzenesulfonate Traditional Name: (3-amino-3-keto-propyl)-dimethyl-sulfonium tosylate Formula: C12H19NO4S2 MolecularWeight: 305.41356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](C)CCC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](C)CCC(=O)N

InChI

InChI=1S/C7H8O3S.C5H11NOS/c1-6-2-4-7(5-3-6)11(8,9)10;1-8(2)4-3-5(6)7/h2-5H,1H3,(H,8,9,10);3-4H2,1-2H3,(H-,6,7)