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

Systemtic Name: (2S)-1-[2-(azocan-1-ium-1-ylmethyl)phenoxy]-3-thiomorpholin-4-ium-4-yl-propan-2-ol Openeye Name: (2S)-1-[2-(azocan-1-ium-1-ylmethyl)phenoxy]-3-thiomorpholin-4-ium-4-yl-propan-2-ol CAS Name: (2S)-1-[2-(1-azocan-1-iumylmethyl)phenoxy]-3-(4-thiomorpholin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-[2-(azocan-1-ium-1-ylmethyl)phenoxy]-3-thiomorpholin-4-ium-4-ylpropan-2-ol Traditional Name: (2S)-1-[2-(azocan-1-ium-1-ylmethyl)phenoxy]-3-thiomorpholin-4-ium-4-yl-propan-2-ol Formula: C21H36N2O2S+2 MolecularWeight: 380.58774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC2=CC=CC=C2OCC(C[NH+]3CCSCC3)O

Isomeric SMILES

C1CCC[NH+](CCC1)CC2=CC=CC=C2OC[C@H](C[NH+]3CCSCC3)O

InChI

InChI=1S/C21H34N2O2S/c24-20(17-23-12-14-26-15-13-23)18-25-21-9-5-4-8-19(21)16-22-10-6-2-1-3-7-11-22/h4-5,8-9,20,24H,1-3,6-7,10-18H2/p+2/t20-/m0/s1