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

Systemtic Name: N-(6-bromanyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-(6-bromo-2-keto-4-phenyl-1H-quinolin-3-yl)-2-morpholin-4-ium-4-yl-acetamide Formula: C21H21BrN3O3+ MolecularWeight: 443.31374

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(=O)NC2=C(C3=C(C=CC(=C3)Br)NC2=O)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CC(=O)NC2=C(C3=C(C=CC(=C3)Br)NC2=O)C4=CC=CC=C4

InChI

InChI=1S/C21H20BrN3O3/c22-15-6-7-17-16(12-15)19(14-4-2-1-3-5-14)20(21(27)23-17)24-18(26)13-25-8-10-28-11-9-25/h1-7,12H,8-11,13H2,(H,23,27)(H,24,26)/p+1