cyclohexyl-methyl-[(2S)-2-oxidanyl-3-[3-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]azanium

Systemtic Name: cyclohexyl-methyl-[(2S)-2-oxidanyl-3-[3-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-(4-thiomorpholin-4-iumylmethyl)phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]-methyl-ammonium Formula: C21H36N2O2S+2 MolecularWeight: 380.58774

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=CC=CC(=C1)C[NH+]2CCSCC2)O)C3CCCCC3

Isomeric SMILES

C[NH+](C[C@@H](COC1=CC=CC(=C1)C[NH+]2CCSCC2)O)C3CCCCC3

InChI

InChI=1S/C21H34N2O2S/c1-22(19-7-3-2-4-8-19)16-20(24)17-25-21-9-5-6-18(14-21)15-23-10-12-26-13-11-23/h5-6,9,14,19-20,24H,2-4,7-8,10-13,15-17H2,1H3/p+2/t20-/m0/s1