1-butyl-2-[1-(3-ethenylphenyl)ethenyl]pyridin-1-ium bromide hydrate

Systemtic Name: 1-butyl-2-[1-(3-ethenylphenyl)ethenyl]pyridin-1-ium bromide hydrate Openeye Name: 1-butyl-2-[1-(3-vinylphenyl)vinyl]pyridin-1-ium bromide hydrate CAS Name: 1-butyl-2-[1-(3-ethenylphenyl)ethenyl]pyridin-1-ium bromide hydrate IUPAC Name: 1-butyl-2-[1-(3-ethenylphenyl)ethenyl]pyridin-1-ium bromide hydrate Traditional Name: 1-butyl-2-[1-(3-vinylphenyl)vinyl]pyridin-1-ium bromide hydrate Formula: C19H24BrNO MolecularWeight: 362.30396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=CC=C1C(=C)C2=CC=CC(=C2)C=C.O.[Br-]

Isomeric SMILES

CCCC[N+]1=CC=CC=C1C(=C)C2=CC=CC(=C2)C=C.O.[Br-]

InChI

InChI=1S/C19H22N.BrH.H2O/c1-4-6-13-20-14-8-7-12-19(20)16(3)18-11-9-10-17(5-2)15-18;;/h5,7-12,14-15H,2-4,6,13H2,1H3;1H;1H2/q+1;;/p-1