[4-aminocarbonyloxy-3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxidanyl-cyclohexyl]methyl-phenethyl-sulfanium bromide

Systemtic Name: [4-aminocarbonyloxy-3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxidanyl-cyclohexyl]methyl-phenethyl-sulfanium bromide Openeye Name: [4-carbamoyloxy-1-hydroxy-3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl]methyl-phenethyl-sulfonium bromide CAS Name: [4-carbamoyloxy-1-hydroxy-3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]cyclohexyl]methyl-phenethylsulfonium bromide IUPAC Name: [4-carbamoyloxy-1-hydroxy-3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl]methyl-phenethylsulfanium bromide Traditional Name: [4-carbamoyloxy-1-hydroxy-3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl]methyl-phenethyl-sulfonium bromide Formula: C25H38BrNO5S MolecularWeight: 544.54192

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1C(O1)(C)C2C(C(CCC2(C[SH+]CCC3=CC=CC=C3)O)OC(=O)N)OC)C.[Br-]

Isomeric SMILES

CC(=CCC1C(O1)(C)C2C(C(CCC2(C[SH+]CCC3=CC=CC=C3)O)OC(=O)N)OC)C.[Br-]

InChI

InChI=1S/C25H37NO5S.BrH/c1-17(2)10-11-20-24(3,31-20)22-21(29-4)19(30-23(26)27)12-14-25(22,28)16-32-15-13-18-8-6-5-7-9-18;/h5-10,19-22,28H,11-16H2,1-4H3,(H2,26,27);1H