[5-(hydroxymethyl)-2-methyl-3-oxidanyl-6-propan-2-yl-pyridin-1-ium-4-yl]methylazanium dichloride

Systemtic Name: [5-(hydroxymethyl)-2-methyl-3-oxidanyl-6-propan-2-yl-pyridin-1-ium-4-yl]methylazanium dichloride Openeye Name: [5-hydroxy-3-(hydroxymethyl)-2-isopropyl-6-methyl-pyridin-1-ium-4-yl]methylammonium dichloride CAS Name: [3-hydroxy-5-(hydroxymethyl)-2-methyl-6-propan-2-yl-4-pyridin-1-iumyl]methylammonium dichloride IUPAC Name: [3-hydroxy-5-(hydroxymethyl)-2-methyl-6-propan-2-ylpyridin-1-ium-4-yl]methylazanium dichloride Traditional Name: (5-hydroxy-2-isopropyl-6-methyl-3-methylol-pyridin-1-ium-4-yl)methylammonium dichloride Formula: C11H20Cl2N2O2 MolecularWeight: 283.1947

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=[NH+]1)C(C)C)CO)C[NH3+])O.[Cl-].[Cl-]

Isomeric SMILES

CC1=C(C(=C(C(=[NH+]1)C(C)C)CO)C[NH3+])O.[Cl-].[Cl-]

InChI

InChI=1S/C11H18N2O2.2ClH/c1-6(2)10-9(5-14)8(4-12)11(15)7(3)13-10;;/h6,14-15H,4-5,12H2,1-3H3;2*1H