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

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acetamide CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]acetamide IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]acetamide Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acetamide Formula: C19H23BrN3O2S+ MolecularWeight: 437.37382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

InChI

InChI=1S/C19H22BrN3O2S/c1-14-10-16(20)3-4-17(14)26-13-19(24)22-12-15-2-5-18(21-11-15)23-6-8-25-9-7-23/h2-5,10-11H,6-9,12-13H2,1H3,(H,22,24)/p+1