magnesium; 4,5-bis(hydroxymethyl)-2-methyl-pyridin-1-ium-3-ol; potassium; dichloride; dihydrate

Systemtic Name: magnesium; 4,5-bis(hydroxymethyl)-2-methyl-pyridin-1-ium-3-ol; potassium; dichloride; dihydrate Openeye Name: magnesium; 4,5-bis(hydroxymethyl)-2-methyl-pyridin-1-ium-3-ol; potassium; dichloride; dihydrate CAS Name: magnesium; 4,5-bis(hydroxymethyl)-2-methyl-3-pyridin-1-iumol; potassium; dichloride; dihydrate IUPAC Name: magnesium; 4,5-bis(hydroxymethyl)-2-methylpyridin-1-ium-3-ol; potassium; dichloride; dihydrate Traditional Name: magnesium; 2-methyl-4,5-dimethylol-pyridin-1-ium-3-ol; potassium; dichloride; dihydrate Formula: C16H28Cl2K2MgN2O8+2 MolecularWeight: 549.80972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=C(C(=C1O)CO)CO.CC1=[NH+]C=C(C(=C1O)CO)CO.O.O.[Mg+2].[Cl-].[Cl-].[K].[K]

Isomeric SMILES

CC1=[NH+]C=C(C(=C1O)CO)CO.CC1=[NH+]C=C(C(=C1O)CO)CO.O.O.[Mg+2].[Cl-].[Cl-].[K].[K]

InChI

InChI=1S/2C8H11NO3.2ClH.2K.Mg.2H2O/c2*1-5-8(12)7(4-11)6(3-10)2-9-5;;;;;;;/h2*2,10-12H,3-4H2,1H3;2*1H;;;;2*1H2/q;;;;;;+2;;