[3-[[4-(2,3-dimethoxypropoxy)phenyl]amino]-3-oxidanylidene-propyl]-dimethyl-sulfanium; 4-methylbenzenesulfonate

Systemtic Name: [3-[[4-(2,3-dimethoxypropoxy)phenyl]amino]-3-oxidanylidene-propyl]-dimethyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: [3-[4-(2,3-dimethoxypropoxy)anilino]-3-oxo-propyl]-dimethyl-sulfonium; 4-methylbenzenesulfonate CAS Name: [3-[4-(2,3-dimethoxypropoxy)anilino]-3-oxopropyl]-dimethylsulfonium; 4-methylbenzenesulfonate IUPAC Name: [3-[4-(2,3-dimethoxypropoxy)anilino]-3-oxopropyl]-dimethylsulfanium; 4-methylbenzenesulfonate Traditional Name: [3-[4-(2,3-dimethoxypropoxy)anilino]-3-keto-propyl]-dimethyl-sulfonium tosylate Formula: C23H33NO7S2 MolecularWeight: 499.64062

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO4S.C7H8O3S/c1-19-11-15(20-2)12-21-14-7-5-13(6-8-14)17-16(18)9-10-22(3)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-8,15H,9-12H2,1-4H3;2-5H,1H3,(H,8,9,10)