1-[[2-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[2-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[2-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]piperidin-1-ium-4-carboxamide Formula: C20H33N3O3S+2 MolecularWeight: 395.55932

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC2=CC=CC=C2OCC(C[NH+]3CCSCC3)O

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC2=CC=CC=C2OC[C@@H](C[NH+]3CCSCC3)O

InChI

InChI=1S/C20H31N3O3S/c21-20(25)16-5-7-22(8-6-16)13-17-3-1-2-4-19(17)26-15-18(24)14-23-9-11-27-12-10-23/h1-4,16,18,24H,5-15H2,(H2,21,25)/p+2/t18-/m1/s1