N-(5-bromanylpyridin-1-ium-2-yl)-2-methyl-5-oxidanylidene-7-phenyl-4-pyridin-1-ium-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

Systemtic Name: N-(5-bromanylpyridin-1-ium-2-yl)-2-methyl-5-oxidanylidene-7-phenyl-4-pyridin-1-ium-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Openeye Name: N-(5-bromopyridin-1-ium-2-yl)-2-methyl-5-oxo-7-phenyl-4-pyridin-1-ium-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide CAS Name: N-(5-bromo-2-pyridin-1-iumyl)-2-methyl-5-oxo-7-phenyl-4-(2-pyridin-1-iumyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide IUPAC Name: N-(5-bromopyridin-1-ium-2-yl)-2-methyl-5-oxo-7-phenyl-4-pyridin-1-ium-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Traditional Name: N-(5-bromopyridin-1-ium-2-yl)-5-keto-2-methyl-7-phenyl-4-pyridin-1-ium-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Formula: C27H25BrN4O2+2 MolecularWeight: 517.417

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=CC=[NH+]4)C(=O)NC5=[NH+]C=C(C=C5)Br

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=CC=[NH+]4)C(=O)NC5=[NH+]C=C(C=C5)Br

InChI

InChI=1S/C27H23BrN4O2/c1-16-24(27(34)32-23-11-10-19(28)15-30-23)26(20-9-5-6-12-29-20)25-21(31-16)13-18(14-22(25)33)17-7-3-2-4-8-17/h2-12,15,18,26,31H,13-14H2,1H3,(H,30,32,34)/p+2