1-naphthalen-1-yl-2-quinolin-1-ium-1-yl-ethanone bromide hydrate

Systemtic Name: 1-naphthalen-1-yl-2-quinolin-1-ium-1-yl-ethanone bromide hydrate Openeye Name: 1-(1-naphthyl)-2-quinolin-1-ium-1-yl-ethanone bromide hydrate CAS Name: 1-(1-naphthalenyl)-2-(1-quinolin-1-iumyl)ethanone bromide hydrate IUPAC Name: 1-naphthalen-1-yl-2-quinolin-1-ium-1-ylethanone bromide hydrate Traditional Name: 1-(1-naphthyl)-2-quinolin-1-ium-1-yl-ethanone bromide hydrate Formula: C21H18BrNO2 MolecularWeight: 396.27712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)C[N+]3=CC=CC4=CC=CC=C43.O.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)C[N+]3=CC=CC4=CC=CC=C43.O.[Br-]

InChI

InChI=1S/C21H16NO.BrH.H2O/c23-21(19-12-5-9-16-7-1-3-11-18(16)19)15-22-14-6-10-17-8-2-4-13-20(17)22;;/h1-14H,15H2;1H;1H2/q+1;;/p-1