[1-[4-(2-acetyloxy-3-ethoxy-propoxy)phenyl]-2-azanyl-2-oxidanylidene-ethyl]-dimethyl-sulfanium; 4-methylbenzenesulfonate

Systemtic Name: [1-[4-(2-acetyloxy-3-ethoxy-propoxy)phenyl]-2-azanyl-2-oxidanylidene-ethyl]-dimethyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: [1-[4-(2-acetoxy-3-ethoxy-propoxy)phenyl]-2-amino-2-oxo-ethyl]-dimethyl-sulfonium; 4-methylbenzenesulfonate CAS Name: [1-[4-(2-acetyloxy-3-ethoxypropoxy)phenyl]-2-amino-2-oxoethyl]-dimethylsulfonium; 4-methylbenzenesulfonate IUPAC Name: [1-[4-(2-acetyloxy-3-ethoxypropoxy)phenyl]-2-amino-2-oxoethyl]-dimethylsulfanium; 4-methylbenzenesulfonate Traditional Name: [1-[4-(2-acetoxy-3-ethoxy-propoxy)phenyl]-2-amino-2-keto-ethyl]-dimethyl-sulfonium tosylate Formula: C24H33NO8S2 MolecularWeight: 527.65072

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(COC1=CC=C(C=C1)C(C(=O)N)[S+](C)C)OC(=O)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCOCC(COC1=CC=C(C=C1)C(C(=O)N)[S+](C)C)OC(=O)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C17H25NO5S.C7H8O3S/c1-5-21-10-15(23-12(2)19)11-22-14-8-6-13(7-9-14)16(17(18)20)24(3)4;1-6-2-4-7(5-3-6)11(8,9)10/h6-9,15-16H,5,10-11H2,1-4H3,(H-,18,20);2-5H,1H3,(H,8,9,10)