[4-(2-chloroethylcarbamoyloxy)-3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxidanyl-cyclohexyl]methyl-dimethyl-sulfanium

Systemtic Name: [4-(2-chloroethylcarbamoyloxy)-3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxidanyl-cyclohexyl]methyl-dimethyl-sulfanium Openeye Name: [4-(2-chloroethylcarbamoyloxy)-1-hydroxy-3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl]methyl-dimethyl-sulfonium CAS Name: [4-[(2-chloroethylamino)-oxomethoxy]-1-hydroxy-3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]cyclohexyl]methyl-dimethylsulfonium IUPAC Name: [4-(2-chloroethylcarbamoyloxy)-1-hydroxy-3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl]methyl-dimethylsulfanium Traditional Name: [4-(2-chloroethylcarbamoyloxy)-1-hydroxy-3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl]methyl-dimethyl-sulfonium Formula: C21H37ClNO5S+ MolecularWeight: 451.04018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1C(O1)(C)C2C(C(CCC2(C[S+](C)C)O)OC(=O)NCCCl)OC)C

Isomeric SMILES

CC(=CCC1C(O1)(C)C2C(C(CCC2(C[S+](C)C)O)OC(=O)NCCCl)OC)C

InChI

InChI=1S/C21H36ClNO5S/c1-14(2)7-8-16-20(3,28-16)18-17(26-4)15(27-19(24)23-12-11-22)9-10-21(18,25)13-29(5)6/h7,15-18,25H,8-13H2,1-6H3/p+1