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

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-(3-oxidanylpropyl)azanium Openeye Name: 3-hydroxypropyl-[[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 3-hydroxypropyl-[[4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 3-hydroxypropyl-[[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: 3-hydroxypropyl-[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]ammonium Formula: C18H32N2O4S+2 MolecularWeight: 372.52268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCCO)OCC(C[NH+]2CCSCC2)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCCO)OC[C@@H](C[NH+]2CCSCC2)O

InChI

InChI=1S/C18H30N2O4S/c1-23-18-11-15(12-19-5-2-8-21)3-4-17(18)24-14-16(22)13-20-6-9-25-10-7-20/h3-4,11,16,19,21-22H,2,5-10,12-14H2,1H3/p+2/t16-/m1/s1