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

Systemtic Name: 1-[(2S)-2-oxidanyl-3-[3-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]piperidin-1-ium-4-ol Openeye Name: 1-[(2S)-2-hydroxy-3-[3-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]piperidin-1-ium-4-ol CAS Name: 1-[(2S)-2-hydroxy-3-[3-(4-thiomorpholin-4-iumylmethyl)phenoxy]propyl]-4-piperidin-1-iumol IUPAC Name: 1-[(2S)-2-hydroxy-3-[3-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]piperidin-1-ium-4-ol Traditional Name: 1-[(2S)-2-hydroxy-3-[3-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]piperidin-1-ium-4-ol Formula: C19H32N2O3S+2 MolecularWeight: 368.53398

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)CC(COC2=CC=CC(=C2)C[NH+]3CCSCC3)O

Isomeric SMILES

C1C[NH+](CCC1O)C[C@@H](COC2=CC=CC(=C2)C[NH+]3CCSCC3)O

InChI

InChI=1S/C19H30N2O3S/c22-17-4-6-20(7-5-17)14-18(23)15-24-19-3-1-2-16(12-19)13-21-8-10-25-11-9-21/h1-3,12,17-18,22-23H,4-11,13-15H2/p+2/t18-/m0/s1