N-(6-bromanyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(6-bromanyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(6-bromo-2-keto-4-phenyl-1H-quinolin-3-yl)-2-piperidin-1-ium-1-yl-acetamide Formula: C22H23BrN3O2+ MolecularWeight: 441.34092

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NC2=C(C3=C(C=CC(=C3)Br)NC2=O)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NC2=C(C3=C(C=CC(=C3)Br)NC2=O)C4=CC=CC=C4

InChI

InChI=1S/C22H22BrN3O2/c23-16-9-10-18-17(13-16)20(15-7-3-1-4-8-15)21(22(28)24-18)25-19(27)14-26-11-5-2-6-12-26/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,24,28)(H,25,27)/p+1