[1-[3-[3-(dimethylamino)pyridin-1-ium-1-yl]propyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide

Systemtic Name: [1-[3-[3-(dimethylamino)pyridin-1-ium-1-yl]propyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide Openeye Name: [1-[3-[3-(dimethylamino)pyridin-1-ium-1-yl]propyl]-4-pyridylidene]methyl-oxo-ammonium dibromide CAS Name: [1-[3-[3-(dimethylamino)-1-pyridin-1-iumyl]propyl]-4-pyridinylidene]methyl-oxoammonium dibromide IUPAC Name: [1-[3-[3-(dimethylamino)pyridin-1-ium-1-yl]propyl]pyridin-4-ylidene]methyl-oxoazanium dibromide Traditional Name: [1-[3-[3-(dimethylamino)pyridin-1-ium-1-yl]propyl]-4-pyridylidene]methyl-keto-ammonium dibromide Formula: C16H22Br2N4O MolecularWeight: 446.18008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C[N+](=CC=C1)CCCN2C=CC(=C[NH+]=O)C=C2.[Br-].[Br-]

Isomeric SMILES

CN(C)C1=C[N+](=CC=C1)CCCN2C=CC(=C[NH+]=O)C=C2.[Br-].[Br-]

InChI

InChI=1S/C16H21N4O.2BrH/c1-18(2)16-5-3-8-20(14-16)10-4-9-19-11-6-15(7-12-19)13-17-21;;/h3,5-8,11-14H,4,9-10H2,1-2H3;2*1H/q+1;;/p-1