N-(5-bromanylpyridin-1-ium-2-yl)-7,7-dimethyl-2-methylidene-4-(4-methylsulfanylphenyl)-5-oxidanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide

Systemtic Name: N-(5-bromanylpyridin-1-ium-2-yl)-7,7-dimethyl-2-methylidene-4-(4-methylsulfanylphenyl)-5-oxidanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide Openeye Name: N-(5-bromopyridin-1-ium-2-yl)-7,7-dimethyl-2-methylene-4-(4-methylsulfanylphenyl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide CAS Name: N-(5-bromo-2-pyridin-1-iumyl)-7,7-dimethyl-2-methylene-4-[4-(methylthio)phenyl]-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide IUPAC Name: N-(5-bromopyridin-1-ium-2-yl)-7,7-dimethyl-2-methylidene-4-(4-methylsulfanylphenyl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide Traditional Name: N-(5-bromopyridin-1-ium-2-yl)-5-keto-7,7-dimethyl-2-methylene-4-[4-(methylthio)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide Formula: C25H27BrN3O2S+ MolecularWeight: 513.46978

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(C(=C)N2)C(=O)NC3=[NH+]C=C(C=C3)Br)C4=CC=C(C=C4)SC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(C(=C)N2)C(=O)NC3=[NH+]C=C(C=C3)Br)C4=CC=C(C=C4)SC)C(=O)C1)C

InChI

InChI=1S/C25H26BrN3O2S/c1-14-21(24(31)29-20-10-7-16(26)13-27-20)22(15-5-8-17(32-4)9-6-15)23-18(28-14)11-25(2,3)12-19(23)30/h5-10,13,21-22,28H,1,11-12H2,2-4H3,(H,27,29,31)/p+1