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

Systemtic Name: N-(6-bromanyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)-3-piperidin-1-ium-1-yl-propanamide Openeye Name: N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-piperidin-1-ium-1-yl-propanamide CAS Name: N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(1-piperidin-1-iumyl)propanamide IUPAC Name: N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-piperidin-1-ium-1-ylpropanamide Traditional Name: N-(6-bromo-2-keto-4-phenyl-1H-quinolin-3-yl)-3-piperidin-1-ium-1-yl-propionamide Formula: C23H25BrN3O2+ MolecularWeight: 455.3675

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24BrN3O2/c24-17-9-10-19-18(15-17)21(16-7-3-1-4-8-16)22(23(29)25-19)26-20(28)11-14-27-12-5-2-6-13-27/h1,3-4,7-10,15H,2,5-6,11-14H2,(H,25,29)(H,26,28)/p+1