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

Systemtic Name: 2-acetamidoethyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]azanium Openeye Name: 2-acetamidoethyl-[[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 2-acetamidoethyl-[[4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 2-acetamidoethyl-[[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: 2-acetamidoethyl-[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]ammonium Formula: C19H33N3O4S+2 MolecularWeight: 399.54802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O4S/c1-15(23)21-6-5-20-12-16-3-4-18(19(11-16)25-2)26-14-17(24)13-22-7-9-27-10-8-22/h3-4,11,17,20,24H,5-10,12-14H2,1-2H3,(H,21,23)/p+2/t17-/m1/s1