2-[cyclohexyl-[[2-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[cyclohexyl-[[2-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[cyclohexyl-[[2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[cyclohexyl-[[2-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[cyclohexyl-[[2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[cyclohexyl-[2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]amino]ethyl-dimethyl-ammonium Formula: C24H43N3O2S+2 MolecularWeight: 437.68212

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC=CC=C1OCC(C[NH+]2CCSCC2)O)C3CCCCC3

Isomeric SMILES

C[NH+](C)CCN(CC1=CC=CC=C1OC[C@@H](C[NH+]2CCSCC2)O)C3CCCCC3

InChI

InChI=1S/C24H41N3O2S/c1-25(2)12-13-27(22-9-4-3-5-10-22)18-21-8-6-7-11-24(21)29-20-23(28)19-26-14-16-30-17-15-26/h6-8,11,22-23,28H,3-5,9-10,12-20H2,1-2H3/p+2/t23-/m1/s1