2-(4-bromophenyl)sulfanyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]ethanamide

Systemtic Name: 2-(4-bromophenyl)sulfanyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]ethanamide Openeye Name: 2-(4-bromophenyl)sulfanyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acetamide CAS Name: 2-[(4-bromophenyl)thio]-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]acetamide IUPAC Name: 2-(4-bromophenyl)sulfanyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]acetamide Traditional Name: 2-[(4-bromophenyl)thio]-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acetamide Formula: C18H21BrN3O2S+ MolecularWeight: 423.34724

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H20BrN3O2S/c19-15-2-4-16(5-3-15)25-13-18(23)21-12-14-1-6-17(20-11-14)22-7-9-24-10-8-22/h1-6,11H,7-10,12-13H2,(H,21,23)/p+1