(3R,4R)-6-bromanyl-4-phenyl-3-piperidin-1-ium-1-yl-3,4-dihydro-1H-quinolin-2-one

Systemtic Name: (3R,4R)-6-bromanyl-4-phenyl-3-piperidin-1-ium-1-yl-3,4-dihydro-1H-quinolin-2-one Openeye Name: (3R,4R)-6-bromo-4-phenyl-3-piperidin-1-ium-1-yl-3,4-dihydro-1H-quinolin-2-one CAS Name: (3R,4R)-6-bromo-4-phenyl-3-(1-piperidin-1-iumyl)-3,4-dihydro-1H-quinolin-2-one IUPAC Name: (3R,4R)-6-bromo-4-phenyl-3-piperidin-1-ium-1-yl-3,4-dihydro-1H-quinolin-2-one Traditional Name: (3R,4R)-6-bromo-4-phenyl-3-piperidin-1-ium-1-yl-3,4-dihydrocarbostyril Formula: C20H22BrN2O+ MolecularWeight: 386.30548

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2C(C3=C(C=CC(=C3)Br)NC2=O)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H]2[C@@H](C3=C(C=CC(=C3)Br)NC2=O)C4=CC=CC=C4

InChI

InChI=1S/C20H21BrN2O/c21-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(20(24)22-17)23-11-5-2-6-12-23/h1,3-4,7-10,13,18-19H,2,5-6,11-12H2,(H,22,24)/p+1/t18-,19-/m1/s1