2-bromanyl-6-methoxy-4-(thiomorpholin-4-ium-4-ylmethyl)phenol

Systemtic Name: 2-bromanyl-6-methoxy-4-(thiomorpholin-4-ium-4-ylmethyl)phenol Openeye Name: 2-bromo-6-methoxy-4-(thiomorpholin-4-ium-4-ylmethyl)phenol CAS Name: 2-bromo-6-methoxy-4-(4-thiomorpholin-4-iumylmethyl)phenol IUPAC Name: 2-bromo-6-methoxy-4-(thiomorpholin-4-ium-4-ylmethyl)phenol Traditional Name: 2-bromo-6-methoxy-4-(thiomorpholin-4-ium-4-ylmethyl)phenol Formula: C12H17BrNO2S+ MolecularWeight: 319.23788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16BrNO2S/c1-16-11-7-9(6-10(13)12(11)15)8-14-2-4-17-5-3-14/h6-7,15H,2-5,8H2,1H3/p+1