[4-[(dimethylazaniumyl)methyl]-5-oxidanyl-6-phenethyl-pyridin-1-ium-2-yl]methyl-dimethyl-azanium trichloride

Systemtic Name: [4-[(dimethylazaniumyl)methyl]-5-oxidanyl-6-phenethyl-pyridin-1-ium-2-yl]methyl-dimethyl-azanium trichloride Openeye Name: [4-[(dimethylammonio)methyl]-5-hydroxy-6-phenethyl-pyridin-1-ium-2-yl]methyl-dimethyl-ammonium trichloride CAS Name: [4-[(dimethylammonio)methyl]-5-hydroxy-6-phenethyl-2-pyridin-1-iumyl]methyl-dimethylammonium trichloride IUPAC Name: [4-[(dimethylazaniumyl)methyl]-5-hydroxy-6-phenethylpyridin-1-ium-2-yl]methyl-dimethylazanium trichloride Traditional Name: [4-[(dimethylammonio)methyl]-5-hydroxy-6-phenethyl-pyridin-1-ium-2-yl]methyl-dimethyl-ammonium trichloride Formula: C19H30Cl3N3O MolecularWeight: 422.82

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC(=[NH+]C(=C1O)CCC2=CC=CC=C2)C[NH+](C)C.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

C[NH+](C)CC1=CC(=[NH+]C(=C1O)CCC2=CC=CC=C2)C[NH+](C)C.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C19H27N3O.3ClH/c1-21(2)13-16-12-17(14-22(3)4)20-18(19(16)23)11-10-15-8-6-5-7-9-15;;;/h5-9,12,23H,10-11,13-14H2,1-4H3;3*1H