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

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-3-oxidanyl-pyridin-1-ium-4-yl]methyl-dimethyl-azanium dichloride Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethyl]-3-hydroxy-6-methyl-pyridin-1-ium-4-yl]methyl-dimethyl-ammonium dichloride CAS Name: [2-[2-(3,4-dimethoxyphenyl)ethyl]-3-hydroxy-6-methyl-4-pyridin-1-iumyl]methyl-dimethylammonium dichloride IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethyl]-3-hydroxy-6-methylpyridin-1-ium-4-yl]methyl-dimethylazanium dichloride Traditional Name: (2-homoveratryl-3-hydroxy-6-methyl-pyridin-1-ium-4-yl)methyl-dimethyl-ammonium dichloride Formula: C19H28Cl2N2O3 MolecularWeight: 403.34322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O3.2ClH/c1-13-10-15(12-21(2)3)19(22)16(20-13)8-6-14-7-9-17(23-4)18(11-14)24-5;;/h7,9-11,22H,6,8,12H2,1-5H3;2*1H