1-phenyl-2-quinolin-1-ium-1-yl-propan-1-one bromide hydrate

Systemtic Name: 1-phenyl-2-quinolin-1-ium-1-yl-propan-1-one bromide hydrate Openeye Name: 1-phenyl-2-quinolin-1-ium-1-yl-propan-1-one bromide hydrate CAS Name: 1-phenyl-2-(1-quinolin-1-iumyl)-1-propanone bromide hydrate IUPAC Name: 1-phenyl-2-quinolin-1-ium-1-ylpropan-1-one bromide hydrate Traditional Name: 1-phenyl-2-quinolin-1-ium-1-yl-propan-1-one bromide hydrate Formula: C18H18BrNO2 MolecularWeight: 360.24502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)[N+]2=CC=CC3=CC=CC=C32.O.[Br-]

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)[N+]2=CC=CC3=CC=CC=C32.O.[Br-]

InChI

InChI=1S/C18H16NO.BrH.H2O/c1-14(18(20)16-9-3-2-4-10-16)19-13-7-11-15-8-5-6-12-17(15)19;;/h2-14H,1H3;1H;1H2/q+1;;/p-1