1-naphthalen-2-yl-2-[3-[5-(phenoxymethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanone bromide

Systemtic Name: 1-naphthalen-2-yl-2-[3-[5-(phenoxymethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(2-naphthyl)-2-[3-[5-(phenoxymethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanone bromide CAS Name: 1-(2-naphthalenyl)-2-[3-[5-(phenoxymethyl)-1H-pyrazol-3-yl]-1-pyridin-1-iumyl]ethanone bromide IUPAC Name: 1-naphthalen-2-yl-2-[3-[5-(phenoxymethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(2-naphthyl)-2-[3-[5-(phenoxymethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanone bromide Formula: C27H22BrN3O2 MolecularWeight: 500.38648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=CC(=NN2)C3=C[N+](=CC=C3)CC(=O)C4=CC5=CC=CC=C5C=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CC(=NN2)C3=C[N+](=CC=C3)CC(=O)C4=CC5=CC=CC=C5C=C4.[Br-]

InChI

InChI=1S/C27H22N3O2.BrH/c31-27(22-13-12-20-7-4-5-8-21(20)15-22)18-30-14-6-9-23(17-30)26-16-24(28-29-26)19-32-25-10-2-1-3-11-25;/h1-17H,18-19H2,(H,28,29);1H/q+1;/p-1