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

Systemtic Name: 3-[4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propan-1-ol dibromide Openeye Name: 3-[4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propan-1-ol dibromide CAS Name: 3-[4-[1-(phenylmethyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]-1-propanol dibromide IUPAC Name: 3-[4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propan-1-ol dibromide Traditional Name: 3-[4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propan-1-ol dibromide Formula: C20H22Br2N2O MolecularWeight: 466.20948

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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)CCCO.[Br-].[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O.2BrH/c23-16-4-11-21-12-7-19(8-13-21)20-9-14-22(15-10-20)17-18-5-2-1-3-6-18;;/h1-3,5-10,12-15,23H,4,11,16-17H2;2*1H/q+2;;/p-2