acetyloxycarbonyl-[1-[2-[4-(4-methoxyphenyl)butanoylamino]ethylsulfanyl]-4-oxidanyl-4-oxidanylidene-butyl]-dimethyl-azanium

Systemtic Name: acetyloxycarbonyl-[1-[2-[4-(4-methoxyphenyl)butanoylamino]ethylsulfanyl]-4-oxidanyl-4-oxidanylidene-butyl]-dimethyl-azanium Openeye Name: acetoxycarbonyl-[4-hydroxy-1-[2-[4-(4-methoxyphenyl)butanoylamino]ethylsulfanyl]-4-oxo-butyl]-dimethyl-ammonium CAS Name: [acetyloxy(oxo)methyl]-[4-hydroxy-1-[2-[[4-(4-methoxyphenyl)-1-oxobutyl]amino]ethylthio]-4-oxobutyl]-dimethylammonium IUPAC Name: acetyloxycarbonyl-[4-hydroxy-1-[2-[4-(4-methoxyphenyl)butanoylamino]ethylsulfanyl]-4-oxobutyl]-dimethylazanium Traditional Name: acetoxycarbonyl-[4-hydroxy-4-keto-1-[2-[4-(4-methoxyphenyl)butanoylamino]ethylthio]butyl]-dimethyl-ammonium Formula: C22H33N2O7S+ MolecularWeight: 469.57162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(=O)[N+](C)(C)C(CCC(=O)O)SCCNC(=O)CCCC1=CC=C(C=C1)OC

Isomeric SMILES

CC(=O)OC(=O)[N+](C)(C)C(CCC(=O)O)SCCNC(=O)CCCC1=CC=C(C=C1)OC

InChI

InChI=1S/C22H32N2O7S/c1-16(25)31-22(29)24(2,3)20(12-13-21(27)28)32-15-14-23-19(26)7-5-6-17-8-10-18(30-4)11-9-17/h8-11,20H,5-7,12-15H2,1-4H3,(H-,23,26,27,28)/p+1