6-bromanyl-4-phenyl-3-(piperidin-1-ium-1-ylmethyl)-1H-quinolin-2-one

Systemtic Name: 6-bromanyl-4-phenyl-3-(piperidin-1-ium-1-ylmethyl)-1H-quinolin-2-one Openeye Name: 6-bromo-4-phenyl-3-(piperidin-1-ium-1-ylmethyl)-1H-quinolin-2-one CAS Name: 6-bromo-4-phenyl-3-(1-piperidin-1-iumylmethyl)-1H-quinolin-2-one IUPAC Name: 6-bromo-4-phenyl-3-(piperidin-1-ium-1-ylmethyl)-1H-quinolin-2-one Traditional Name: 6-bromo-4-phenyl-3-(piperidin-1-ium-1-ylmethyl)carbostyril Formula: C21H22BrN2O+ MolecularWeight: 398.31618

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C3=C(C=CC(=C3)Br)NC2=O)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C3=C(C=CC(=C3)Br)NC2=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21BrN2O/c22-16-9-10-19-17(13-16)20(15-7-3-1-4-8-15)18(21(25)23-19)14-24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,23,25)/p+1