1-(4-chlorophenyl)-2-quinolin-1-ium-1-yl-propan-1-one bromide hydrate

Systemtic Name: 1-(4-chlorophenyl)-2-quinolin-1-ium-1-yl-propan-1-one bromide hydrate Openeye Name: 1-(4-chlorophenyl)-2-quinolin-1-ium-1-yl-propan-1-one bromide hydrate CAS Name: 1-(4-chlorophenyl)-2-(1-quinolin-1-iumyl)-1-propanone bromide hydrate IUPAC Name: 1-(4-chlorophenyl)-2-quinolin-1-ium-1-ylpropan-1-one bromide hydrate Traditional Name: 1-(4-chlorophenyl)-2-quinolin-1-ium-1-yl-propan-1-one bromide hydrate Formula: C18H17BrClNO2 MolecularWeight: 394.69008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClNO.BrH.H2O/c1-13(18(21)15-8-10-16(19)11-9-15)20-12-4-6-14-5-2-3-7-17(14)20;;/h2-13H,1H3;1H;1H2/q+1;;/p-1