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

Systemtic Name: (2S)-1-[2-(azepan-1-ium-1-ylmethyl)phenoxy]-3-thiomorpholin-4-ium-4-yl-propan-2-ol Openeye Name: (2S)-1-[2-(azepan-1-ium-1-ylmethyl)phenoxy]-3-thiomorpholin-4-ium-4-yl-propan-2-ol CAS Name: (2S)-1-[2-(1-azepan-1-iumylmethyl)phenoxy]-3-(4-thiomorpholin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-[2-(azepan-1-ium-1-ylmethyl)phenoxy]-3-thiomorpholin-4-ium-4-ylpropan-2-ol Traditional Name: (2S)-1-[2-(azepan-1-ium-1-ylmethyl)phenoxy]-3-thiomorpholin-4-ium-4-yl-propan-2-ol Formula: C20H34N2O2S+2 MolecularWeight: 366.56116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC=CC=C2OCC(C[NH+]3CCSCC3)O

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC=CC=C2OC[C@H](C[NH+]3CCSCC3)O

InChI

InChI=1S/C20H32N2O2S/c23-19(16-22-11-13-25-14-12-22)17-24-20-8-4-3-7-18(20)15-21-9-5-1-2-6-10-21/h3-4,7-8,19,23H,1-2,5-6,9-17H2/p+2/t19-/m0/s1