N-(5-bromanylpyridin-1-ium-2-yl)-4-[5-[(4-cyanophenoxy)methyl]furan-2-yl]-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

Systemtic Name: N-(5-bromanylpyridin-1-ium-2-yl)-4-[5-[(4-cyanophenoxy)methyl]furan-2-yl]-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Openeye Name: N-(5-bromopyridin-1-ium-2-yl)-4-[5-[(4-cyanophenoxy)methyl]-2-furyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide CAS Name: N-(5-bromo-2-pyridin-1-iumyl)-4-[5-[(4-cyanophenoxy)methyl]-2-furanyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide IUPAC Name: N-(5-bromopyridin-1-ium-2-yl)-4-[5-[(4-cyanophenoxy)methyl]furan-2-yl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Traditional Name: N-(5-bromopyridin-1-ium-2-yl)-4-[5-[(4-cyanophenoxy)methyl]-2-furyl]-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Formula: C28H24BrN4O4+ MolecularWeight: 560.41856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(O3)COC4=CC=C(C=C4)C#N)C(=O)NC5=[NH+]C=C(C=C5)Br

Isomeric SMILES

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(O3)COC4=CC=C(C=C4)C#N)C(=O)NC5=[NH+]C=C(C=C5)Br

InChI

InChI=1S/C28H23BrN4O4/c1-16-25(28(35)33-24-12-7-18(29)14-31-24)27(26-21(32-16)3-2-4-22(26)34)23-11-10-20(37-23)15-36-19-8-5-17(13-30)6-9-19/h5-12,14,27,32H,2-4,15H2,1H3,(H,31,33,35)/p+1