N-(5-bromanylpyridin-1-ium-2-yl)-4-[5-(4-bromophenyl)furan-2-yl]-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide

Systemtic Name: N-(5-bromanylpyridin-1-ium-2-yl)-4-[5-(4-bromophenyl)furan-2-yl]-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide Openeye Name: 4-[5-(4-bromophenyl)-2-furyl]-N-(5-bromopyridin-1-ium-2-yl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide CAS Name: 4-[5-(4-bromophenyl)-2-furanyl]-N-(5-bromo-2-pyridin-1-iumyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide IUPAC Name: 4-[5-(4-bromophenyl)furan-2-yl]-N-(5-bromopyridin-1-ium-2-yl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide Traditional Name: 4-[5-(4-bromophenyl)-2-furyl]-N-(5-bromopyridin-1-ium-2-yl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide Formula: C26H22Br2N3O3+ MolecularWeight: 584.27918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC=C(O3)C4=CC=C(C=C4)Br)C(=O)NC5=[NH+]C=C(C=C5)Br

Isomeric SMILES

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC=C(O3)C4=CC=C(C=C4)Br)C(=O)NC5=[NH+]C=C(C=C5)Br

InChI

InChI=1S/C26H21Br2N3O3/c1-14-23(26(33)31-22-12-9-17(28)13-29-22)25(24-18(30-14)3-2-4-19(24)32)21-11-10-20(34-21)15-5-7-16(27)8-6-15/h3,5-13,24-25,30H,2,4H2,1H3,(H,29,31,33)/p+1