6-bromanyl-2-(4-methylphenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-2-(4-methylphenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]quinoline-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-6-bromo-2-(p-tolyl)quinoline-4-carboxamide CAS Name: 6-bromo-2-(4-methylphenyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-quinolinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-6-bromo-2-(4-methylphenyl)quinoline-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-6-bromo-2-(p-tolyl)cinchoninamide Formula: C29H29BrN3O+ MolecularWeight: 515.46406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H28BrN3O/c1-20-7-9-22(10-8-20)28-18-26(25-17-23(30)11-12-27(25)32-28)29(34)31-24-13-15-33(16-14-24)19-21-5-3-2-4-6-21/h2-12,17-18,24H,13-16,19H2,1H3,(H,31,34)/p+1