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

Systemtic Name: 2-acetamidoethyl-[[2-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]azanium Openeye Name: 2-acetamidoethyl-[[2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]ammonium CAS Name: 2-acetamidoethyl-[[2-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl]ammonium IUPAC Name: 2-acetamidoethyl-[[2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl]azanium Traditional Name: 2-acetamidoethyl-[2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]ammonium Formula: C18H31N3O3S+2 MolecularWeight: 369.52204

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC[NH2+]CC1=CC=CC=C1OCC(C[NH+]2CCSCC2)O

Isomeric SMILES

CC(=O)NCC[NH2+]CC1=CC=CC=C1OC[C@@H](C[NH+]2CCSCC2)O

InChI

InChI=1S/C18H29N3O3S/c1-15(22)20-7-6-19-12-16-4-2-3-5-18(16)24-14-17(23)13-21-8-10-25-11-9-21/h2-5,17,19,23H,6-14H2,1H3,(H,20,22)/p+2/t17-/m1/s1