2-[(3-bromophenyl)methylsulfanyl]-N-(3-oxidanylpyridin-1-ium-2-yl)ethanamide

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(3-oxidanylpyridin-1-ium-2-yl)ethanamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(3-hydroxypyridin-1-ium-2-yl)acetamide CAS Name: 2-[(3-bromophenyl)methylthio]-N-(3-hydroxy-2-pyridin-1-iumyl)acetamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(3-hydroxypyridin-1-ium-2-yl)acetamide Traditional Name: 2-[(3-bromobenzyl)thio]-N-(3-hydroxypyridin-1-ium-2-yl)acetamide Formula: C14H14BrN2O2S+ MolecularWeight: 354.24216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CSCC(=O)NC2=C(C=CC=[NH+]2)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)CSCC(=O)NC2=C(C=CC=[NH+]2)O

InChI

InChI=1S/C14H13BrN2O2S/c15-11-4-1-3-10(7-11)8-20-9-13(19)17-14-12(18)5-2-6-16-14/h1-7,18H,8-9H2,(H,16,17,19)/p+1