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

Systemtic Name: 4-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]thiomorpholin-4-ium Openeye Name: 4-[(5-bromo-2,4-dimethoxy-phenyl)methyl]thiomorpholin-4-ium CAS Name: 4-[(5-bromo-2,4-dimethoxyphenyl)methyl]thiomorpholin-4-ium IUPAC Name: 4-[(5-bromo-2,4-dimethoxyphenyl)methyl]thiomorpholin-4-ium Traditional Name: 4-(5-bromo-2,4-dimethoxy-benzyl)thiomorpholin-4-ium Formula: C13H19BrNO2S+ MolecularWeight: 333.26446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCSCC2)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCSCC2)Br)OC

InChI

InChI=1S/C13H18BrNO2S/c1-16-12-8-13(17-2)11(14)7-10(12)9-15-3-5-18-6-4-15/h7-8H,3-6,9H2,1-2H3/p+1