dimethyl-[(6-methyl-3-oxidanyl-2-phenethyl-pyridin-1-ium-4-yl)methyl]azanium dichloride

Systemtic Name: dimethyl-[(6-methyl-3-oxidanyl-2-phenethyl-pyridin-1-ium-4-yl)methyl]azanium dichloride Openeye Name: (3-hydroxy-6-methyl-2-phenethyl-pyridin-1-ium-4-yl)methyl-dimethyl-ammonium dichloride CAS Name: (3-hydroxy-6-methyl-2-phenethyl-4-pyridin-1-iumyl)methyl-dimethylammonium dichloride IUPAC Name: (3-hydroxy-6-methyl-2-phenethylpyridin-1-ium-4-yl)methyl-dimethylazanium dichloride Traditional Name: (3-hydroxy-6-methyl-2-phenethyl-pyridin-1-ium-4-yl)methyl-dimethyl-ammonium dichloride Formula: C17H24Cl2N2O MolecularWeight: 343.29126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=C(C(=C1)C[NH+](C)C)O)CCC2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CC1=[NH+]C(=C(C(=C1)C[NH+](C)C)O)CCC2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/C17H22N2O.2ClH/c1-13-11-15(12-19(2)3)17(20)16(18-13)10-9-14-7-5-4-6-8-14;;/h4-8,11,20H,9-10,12H2,1-3H3;2*1H