1-[(3-phenoxyphenyl)methyl]pyridin-1-ium bromide

Systemtic Name: 1-[(3-phenoxyphenyl)methyl]pyridin-1-ium bromide Openeye Name: 1-[(3-phenoxyphenyl)methyl]pyridin-1-ium bromide CAS Name: 1-[(3-phenoxyphenyl)methyl]pyridin-1-ium bromide IUPAC Name: 1-[(3-phenoxyphenyl)methyl]pyridin-1-ium bromide Traditional Name: 1-(3-phenoxybenzyl)pyridin-1-ium bromide Formula: C18H16BrNO MolecularWeight: 342.22974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C[N+]3=CC=CC=C3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)C[N+]3=CC=CC=C3.[Br-]

InChI

InChI=1S/C18H16NO.BrH/c1-3-9-17(10-4-1)20-18-11-7-8-16(14-18)15-19-12-5-2-6-13-19;/h1-14H,15H2;1H/q+1;/p-1