4-[(5-bromanyl-2-methoxy-phenyl)methyl]thiomorpholin-4-ium

Systemtic Name: 4-[(5-bromanyl-2-methoxy-phenyl)methyl]thiomorpholin-4-ium Openeye Name: 4-[(5-bromo-2-methoxy-phenyl)methyl]thiomorpholin-4-ium CAS Name: 4-[(5-bromo-2-methoxyphenyl)methyl]thiomorpholin-4-ium IUPAC Name: 4-[(5-bromo-2-methoxyphenyl)methyl]thiomorpholin-4-ium Traditional Name: 4-(5-bromo-2-methoxy-benzyl)thiomorpholin-4-ium Formula: C12H17BrNOS+ MolecularWeight: 303.23848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16BrNOS/c1-15-12-3-2-11(13)8-10(12)9-14-4-6-16-7-5-14/h2-3,8H,4-7,9H2,1H3/p+1