1-(3-bromanylpropyl)-4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium dibromide

Systemtic Name: 1-(3-bromanylpropyl)-4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium dibromide Openeye Name: 1-benzyl-4-[1-(3-bromopropyl)pyridin-1-ium-4-yl]pyridin-1-ium dibromide CAS Name: 1-(3-bromopropyl)-4-[1-(phenylmethyl)-4-pyridin-1-iumyl]pyridin-1-ium dibromide IUPAC Name: 1-benzyl-4-[1-(3-bromopropyl)pyridin-1-ium-4-yl]pyridin-1-ium dibromide Traditional Name: 1-benzyl-4-[1-(3-bromopropyl)pyridin-1-ium-4-yl]pyridin-1-ium dibromide Formula: C20H21Br3N2 MolecularWeight: 529.10614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2.2BrH/c21-11-4-12-22-13-7-19(8-14-22)20-9-15-23(16-10-20)17-18-5-2-1-3-6-18;;/h1-3,5-10,13-16H,4,11-12,17H2;2*1H/q+2;;/p-2