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

Systemtic Name: 4-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-(4-methylpyridin-1-ium-2-yl)-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide Openeye Name: 4-[5-(4-bromophenyl)-2-furyl]-2-methyl-N-(4-methylpyridin-1-ium-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide CAS Name: 4-[5-(4-bromophenyl)-2-furanyl]-2-methyl-N-(4-methyl-2-pyridin-1-iumyl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide IUPAC Name: 4-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-(4-methylpyridin-1-ium-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide Traditional Name: 4-[5-(4-bromophenyl)-2-furyl]-5-keto-2-methyl-N-(4-methylpyridin-1-ium-2-yl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide Formula: C27H25BrN3O3+ MolecularWeight: 519.4097

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C=C1)NC(=O)C2=C(NC3=CCCC(=O)C3C2C4=CC=C(O4)C5=CC=C(C=C5)Br)C

Isomeric SMILES

CC1=CC(=[NH+]C=C1)NC(=O)C2=C(NC3=CCCC(=O)C3C2C4=CC=C(O4)C5=CC=C(C=C5)Br)C

InChI

InChI=1S/C27H24BrN3O3/c1-15-12-13-29-23(14-15)31-27(33)24-16(2)30-19-4-3-5-20(32)25(19)26(24)22-11-10-21(34-22)17-6-8-18(28)9-7-17/h4,6-14,25-26,30H,3,5H2,1-2H3,(H,29,31,33)/p+1