[3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium Openeye Name: (2-hydroxy-1,1-dimethyl-ethyl)-[[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: (1-hydroxy-2-methylpropan-2-yl)-[[4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: (1-hydroxy-2-methylpropan-2-yl)-[[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: (2-hydroxy-1,1-dimethyl-ethyl)-[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]ammonium Formula: C19H34N2O4S+2 MolecularWeight: 386.54926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)[NH2+]CC1=CC(=C(C=C1)OCC(C[NH+]2CCSCC2)O)OC

Isomeric SMILES

CC(C)(CO)[NH2+]CC1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCSCC2)O)OC

InChI

InChI=1S/C19H32N2O4S/c1-19(2,14-22)20-11-15-4-5-17(18(10-15)24-3)25-13-16(23)12-21-6-8-26-9-7-21/h4-5,10,16,20,22-23H,6-9,11-14H2,1-3H3/p+2/t16-/m1/s1