[3-[[4-(3-methoxy-2-oxidanyl-propoxy)phenyl]amino]-3-oxidanylidene-propyl]-dimethyl-sulfanium; 4-methylbenzenesulfonate

Systemtic Name: [3-[[4-(3-methoxy-2-oxidanyl-propoxy)phenyl]amino]-3-oxidanylidene-propyl]-dimethyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: [3-[4-(2-hydroxy-3-methoxy-propoxy)anilino]-3-oxo-propyl]-dimethyl-sulfonium; 4-methylbenzenesulfonate CAS Name: [3-[4-(2-hydroxy-3-methoxypropoxy)anilino]-3-oxopropyl]-dimethylsulfonium; 4-methylbenzenesulfonate IUPAC Name: [3-[4-(2-hydroxy-3-methoxypropoxy)anilino]-3-oxopropyl]-dimethylsulfanium; 4-methylbenzenesulfonate Traditional Name: [3-[4-(2-hydroxy-3-methoxy-propoxy)anilino]-3-keto-propyl]-dimethyl-sulfonium tosylate Formula: C22H31NO7S2 MolecularWeight: 485.61404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].COCC(COC1=CC=C(C=C1)NC(=O)CC[S+](C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].COCC(COC1=CC=C(C=C1)NC(=O)CC[S+](C)C)O

InChI

InChI=1S/C15H23NO4S.C7H8O3S/c1-19-10-13(17)11-20-14-6-4-12(5-7-14)16-15(18)8-9-21(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h4-7,13,17H,8-11H2,1-3H3;2-5H,1H3,(H,8,9,10)