1-[(2R)-3-[4-methoxy-2-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-ol

Systemtic Name: 1-[(2R)-3-[4-methoxy-2-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-ol Openeye Name: 1-[(2R)-2-hydroxy-3-[4-methoxy-2-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]piperidin-1-ium-4-ol CAS Name: 1-[(2R)-2-hydroxy-3-[4-methoxy-2-(4-thiomorpholin-4-iumylmethyl)phenoxy]propyl]-4-piperidin-1-iumol IUPAC Name: 1-[(2R)-2-hydroxy-3-[4-methoxy-2-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]piperidin-1-ium-4-ol Traditional Name: 1-[(2R)-2-hydroxy-3-[4-methoxy-2-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]piperidin-1-ium-4-ol Formula: C20H34N2O4S+2 MolecularWeight: 398.55996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC(C[NH+]2CCC(CC2)O)O)C[NH+]3CCSCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCC(CC2)O)O)C[NH+]3CCSCC3

InChI

InChI=1S/C20H32N2O4S/c1-25-19-2-3-20(16(12-19)13-22-8-10-27-11-9-22)26-15-18(24)14-21-6-4-17(23)5-7-21/h2-3,12,17-18,23-24H,4-11,13-15H2,1H3/p+2/t18-/m1/s1