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

Systemtic Name: [2-azanyl-1-[4-(3-ethoxy-2-oxidanyl-propoxy)phenyl]-2-oxidanylidene-ethyl]-dimethyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: [2-amino-1-[4-(3-ethoxy-2-hydroxy-propoxy)phenyl]-2-oxo-ethyl]-dimethyl-sulfonium; 4-methylbenzenesulfonate CAS Name: [2-amino-1-[4-(3-ethoxy-2-hydroxypropoxy)phenyl]-2-oxoethyl]-dimethylsulfonium; 4-methylbenzenesulfonate IUPAC Name: [2-amino-1-[4-(3-ethoxy-2-hydroxypropoxy)phenyl]-2-oxoethyl]-dimethylsulfanium; 4-methylbenzenesulfonate Traditional Name: [2-amino-1-[4-(3-ethoxy-2-hydroxy-propoxy)phenyl]-2-keto-ethyl]-dimethyl-sulfonium tosylate Formula: C22H31NO7S2 MolecularWeight: 485.61404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO4S.C7H8O3S/c1-4-19-9-12(17)10-20-13-7-5-11(6-8-13)14(15(16)18)21(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h5-8,12,14,17H,4,9-10H2,1-3H3,(H-,16,18);2-5H,1H3,(H,8,9,10)