1-[4-(diethylamino)phenyl]-2-quinolin-1-ium-1-yl-ethanone bromide

Systemtic Name: 1-[4-(diethylamino)phenyl]-2-quinolin-1-ium-1-yl-ethanone bromide Openeye Name: 1-[4-(diethylamino)phenyl]-2-quinolin-1-ium-1-yl-ethanone bromide CAS Name: 1-[4-(diethylamino)phenyl]-2-(1-quinolin-1-iumyl)ethanone bromide IUPAC Name: 1-[4-(diethylamino)phenyl]-2-quinolin-1-ium-1-ylethanone bromide Traditional Name: 1-[4-(diethylamino)phenyl]-2-quinolin-1-ium-1-yl-ethanone bromide Formula: C21H23BrN2O MolecularWeight: 399.32412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N2O.BrH/c1-3-22(4-2)19-13-11-18(12-14-19)21(24)16-23-15-7-9-17-8-5-6-10-20(17)23;/h5-15H,3-4,16H2,1-2H3;1H/q+1;/p-1