8-bromanyl-7-oxidanylidene-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-ium-1-yl)methyl]-1H-quinoline-4-carboxylic acid chloride

Systemtic Name: 8-bromanyl-7-oxidanylidene-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-ium-1-yl)methyl]-1H-quinoline-4-carboxylic acid chloride Openeye Name: 8-bromo-7-oxo-2-phenyl-3-[[4-(1-piperidyl)piperidin-1-ium-1-yl]methyl]-1H-quinoline-4-carboxylic acid chloride CAS Name: 8-bromo-7-oxo-2-phenyl-3-[[4-(1-piperidinyl)-1-piperidin-1-iumyl]methyl]-1H-quinoline-4-carboxylic acid chloride IUPAC Name: 8-bromo-7-oxo-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-ium-1-yl)methyl]-1H-quinoline-4-carboxylic acid chloride Traditional Name: 8-bromo-7-keto-2-phenyl-3-[(4-piperidinopiperidin-1-ium-1-yl)methyl]-1H-quinoline-4-carboxylic acid chloride Formula: C27H31BrClN3O3 MolecularWeight: 560.91034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CC[NH+](CC2)CC3=C(NC4=C(C(=O)C=CC4=C3C(=O)O)Br)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1CCN(CC1)C2CC[NH+](CC2)CC3=C(NC4=C(C(=O)C=CC4=C3C(=O)O)Br)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C27H30BrN3O3.ClH/c28-24-22(32)10-9-20-23(27(33)34)21(25(29-26(20)24)18-7-3-1-4-8-18)17-30-15-11-19(12-16-30)31-13-5-2-6-14-31;/h1,3-4,7-10,19,29H,2,5-6,11-17H2,(H,33,34);1H