[(2R)-3-(3-methoxyphenoxy)-2-oxidanyl-propyl]-[(2R)-4-methyl-4-methylsulfanyl-pentan-2-yl]azanium

Systemtic Name: [(2R)-3-(3-methoxyphenoxy)-2-oxidanyl-propyl]-[(2R)-4-methyl-4-methylsulfanyl-pentan-2-yl]azanium Openeye Name: [(1R)-1,3-dimethyl-3-methylsulfanyl-butyl]-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]ammonium CAS Name: [(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-[(2R)-4-methyl-4-(methylthio)pentan-2-yl]ammonium IUPAC Name: [(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-[(2R)-4-methyl-4-methylsulfanylpentan-2-yl]azanium Traditional Name: [(1R)-1,3-dimethyl-3-(methylthio)butyl]-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]ammonium Formula: C17H30NO3S+ MolecularWeight: 328.49

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)(C)SC)[NH2+]CC(COC1=CC=CC(=C1)OC)O

Isomeric SMILES

C[C@H](CC(C)(C)SC)[NH2+]C[C@H](COC1=CC=CC(=C1)OC)O

InChI

InChI=1S/C17H29NO3S/c1-13(10-17(2,3)22-5)18-11-14(19)12-21-16-8-6-7-15(9-16)20-4/h6-9,13-14,18-19H,10-12H2,1-5H3/p+1/t13-,14-/m1/s1