methanesulfonate; phenyl-[1-[[3-(phenylcarbonyl)pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-3-yl]methanone

Systemtic Name: methanesulfonate; phenyl-[1-[[3-(phenylcarbonyl)pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-3-yl]methanone Openeye Name: [1-[(3-benzoylpyridin-1-ium-1-yl)methoxymethyl]pyridin-1-ium-3-yl]-phenyl-methanone; methanesulfonate CAS Name: [1-[(3-benzoyl-1-pyridin-1-iumyl)methoxymethyl]-3-pyridin-1-iumyl]-phenylmethanone; methanesulfonate IUPAC Name: [1-[(3-benzoylpyridin-1-ium-1-yl)methoxymethyl]pyridin-1-ium-3-yl]-phenylmethanone; methanesulfonate Traditional Name: [1-[(3-benzoylpyridin-1-ium-1-yl)methoxymethyl]pyridin-1-ium-3-yl]-phenyl-methanone dimesylate Formula: C28H28N2O9S2 MolecularWeight: 600.65992

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].CS(=O)(=O)[O-].C1=CC=C(C=C1)C(=O)C2=C[N+](=CC=C2)COC[N+]3=CC=CC(=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)[O-].CS(=O)(=O)[O-].C1=CC=C(C=C1)C(=O)C2=C[N+](=CC=C2)COC[N+]3=CC=CC(=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H22N2O3.2CH4O3S/c29-25(21-9-3-1-4-10-21)23-13-7-15-27(17-23)19-31-20-28-16-8-14-24(18-28)26(30)22-11-5-2-6-12-22;2*1-5(2,3)4/h1-18H,19-20H2;2*1H3,(H,2,3,4)/q+2;;/p-2