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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2O3S/c1-3-4-7-20-13-16-5-6-18(19(12-16)23-2)24-15-17(22)14-21-8-10-25-11-9-21/h5-6,12,17,20,22H,3-4,7-11,13-15H2,1-2H3/p+2/t17-/m1/s1