[2-ethyl-4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phosphonic acid dibromide

Systemtic Name: [2-ethyl-4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phosphonic acid dibromide Openeye Name: [4-(1-benzylpyridin-1-ium-4-yl)-2-ethyl-pyridin-1-ium-1-yl]phosphonic acid dibromide CAS Name: [2-ethyl-4-[1-(phenylmethyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]phosphonic acid dibromide IUPAC Name: [4-(1-benzylpyridin-1-ium-4-yl)-2-ethylpyridin-1-ium-1-yl]phosphonic acid dibromide Traditional Name: [4-(1-benzylpyridin-1-ium-4-yl)-2-ethyl-pyridin-1-ium-1-yl]phosphonic acid dibromide Formula: C19H21Br2N2O3P MolecularWeight: 516.163401

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C=CC(=C1)C2=CC=[N+](C=C2)CC3=CC=CC=C3)P(=O)(O)O.[Br-].[Br-]

Isomeric SMILES

CCC1=[N+](C=CC(=C1)C2=CC=[N+](C=C2)CC3=CC=CC=C3)P(=O)(O)O.[Br-].[Br-]

InChI

InChI=1S/C19H19N2O3P.2BrH/c1-2-19-14-18(10-13-21(19)25(22,23)24)17-8-11-20(12-9-17)15-16-6-4-3-5-7-16;;/h3-14H,2,15H2,1H3;2*1H