1-[(4-methylphenyl)-pyridin-1-ium-1-yl-methyl]pyridin-1-ium dibromide

Systemtic Name: 1-[(4-methylphenyl)-pyridin-1-ium-1-yl-methyl]pyridin-1-ium dibromide Openeye Name: 1-[p-tolyl(pyridin-1-ium-1-yl)methyl]pyridin-1-ium dibromide CAS Name: 1-[(4-methylphenyl)-(1-pyridin-1-iumyl)methyl]pyridin-1-ium dibromide IUPAC Name: 1-[(4-methylphenyl)-pyridin-1-ium-1-ylmethyl]pyridin-1-ium dibromide Traditional Name: 1-[p-tolyl(pyridin-1-ium-1-yl)methyl]pyridin-1-ium dibromide Formula: C18H18Br2N2 MolecularWeight: 422.15692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C([N+]2=CC=CC=C2)[N+]3=CC=CC=C3.[Br-].[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C([N+]2=CC=CC=C2)[N+]3=CC=CC=C3.[Br-].[Br-]

InChI

InChI=1S/C18H18N2.2BrH/c1-16-8-10-17(11-9-16)18(19-12-4-2-5-13-19)20-14-6-3-7-15-20;;/h2-15,18H,1H3;2*1H/q+2;;/p-2