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

Systemtic Name: tert-butyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]azanium Openeye Name: tert-butyl-[[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: tert-butyl-[[4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: tert-butyl-[[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: tert-butyl-[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]ammonium Formula: C19H34N2O3S+2 MolecularWeight: 370.54986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2O3S/c1-19(2,3)20-12-15-5-6-17(18(11-15)23-4)24-14-16(22)13-21-7-9-25-10-8-21/h5-6,11,16,20,22H,7-10,12-14H2,1-4H3/p+2/t16-/m1/s1