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

Systemtic Name: (2S)-1-piperidin-1-ium-1-yl-3-[2-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propan-2-ol Openeye Name: (2S)-1-piperidin-1-ium-1-yl-3-[2-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propan-2-ol CAS Name: (2S)-1-(1-piperidin-1-iumyl)-3-[2-(4-thiomorpholin-4-iumylmethyl)phenoxy]-2-propanol IUPAC Name: (2S)-1-piperidin-1-ium-1-yl-3-[2-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propan-2-ol Traditional Name: (2S)-1-piperidin-1-ium-1-yl-3-[2-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propan-2-ol Formula: C19H32N2O2S+2 MolecularWeight: 352.53458

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=CC=C2C[NH+]3CCSCC3)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=CC=C2C[NH+]3CCSCC3)O

InChI

InChI=1S/C19H30N2O2S/c22-18(15-20-8-4-1-5-9-20)16-23-19-7-3-2-6-17(19)14-21-10-12-24-13-11-21/h2-3,6-7,18,22H,1,4-5,8-16H2/p+2/t18-/m0/s1