trisodium; manganese; 2-[[2-methyl-5-[[oxidanidyl(oxidanyl)phosphoryl]oxymethyl]-3-oxidanyl-pyridin-1-ium-4-yl]methyl-[2-[[2-methyl-3-oxidanyl-5-(phosphonatooxymethyl)pyridin-1-ium-4-yl]methyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoate

Systemtic Name: trisodium; manganese; 2-[[2-methyl-5-[[oxidanidyl(oxidanyl)phosphoryl]oxymethyl]-3-oxidanyl-pyridin-1-ium-4-yl]methyl-[2-[[2-methyl-3-oxidanyl-5-(phosphonatooxymethyl)pyridin-1-ium-4-yl]methyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoate Openeye Name: trisodium; 2-[[3-hydroxy-5-[[hydroxy(oxido)phosphoryl]oxymethyl]-2-methyl-pyridin-1-ium-4-yl]methyl-[2-[[3-hydroxy-2-methyl-5-(phosphonatooxymethyl)pyridin-1-ium-4-yl]methyl-(2-oxido-2-oxo-ethyl)amino]ethyl]amino]acetate; manganese CAS Name: trisodium; 2-[[3-hydroxy-5-[[hydroxy(oxido)phosphoryl]oxymethyl]-2-methyl-4-pyridin-1-iumyl]methyl-[2-[[3-hydroxy-2-methyl-5-(phosphonatooxymethyl)-4-pyridin-1-iumyl]methyl-(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate; manganese IUPAC Name: trisodium; 2-[[3-hydroxy-5-[[hydroxy(oxido)phosphoryl]oxymethyl]-2-methylpyridin-1-ium-4-yl]methyl-[2-[[3-hydroxy-2-methyl-5-(phosphonatooxymethyl)pyridin-1-ium-4-yl]methyl-(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate; manganese Traditional Name: trisodium; 2-[[3-hydroxy-5-[[hydroxy(oxido)phosphoryl]oxymethyl]-2-methyl-pyridin-1-ium-4-yl]methyl-[2-[[3-hydroxy-2-methyl-5-(phosphatomethyl)pyridin-1-ium-4-yl]methyl-(2-keto-2-oxido-ethyl)amino]ethyl]amino]acetate; manganese Formula: C22H29MnN4Na3O14P2 MolecularWeight: 759.338941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=C(C(=C1O)CN(CCN(CC2=C(C(=[NH+]C=C2COP(=O)([O-])[O-])C)O)CC(=O)[O-])CC(=O)[O-])COP(=O)(O)[O-].[Na+].[Na+].[Na+].[Mn]

Isomeric SMILES

CC1=[NH+]C=C(C(=C1O)CN(CCN(CC2=C(C(=[NH+]C=C2COP(=O)([O-])[O-])C)O)CC(=O)[O-])CC(=O)[O-])COP(=O)(O)[O-].[Na+].[Na+].[Na+].[Mn]

InChI

InChI=1S/C22H32N4O14P2.Mn.3Na/c1-13-21(31)17(15(5-23-13)11-39-41(33,34)35)7-25(9-19(27)28)3-4-26(10-20(29)30)8-18-16(12-40-42(36,37)38)6-24-14(2)22(18)32;;;;/h5-6,31-32H,3-4,7-12H2,1-2H3,(H,27,28)(H,29,30)(H2,33,34,35)(H2,36,37,38);;;;/q;;3*+1/p-3