2-tert-butyl-4,6-bis(morpholin-4-ium-4-ylmethyl)pyridin-1-ium-3-ol trichloride

Systemtic Name: 2-tert-butyl-4,6-bis(morpholin-4-ium-4-ylmethyl)pyridin-1-ium-3-ol trichloride Openeye Name: 2-tert-butyl-4,6-bis(morpholin-4-ium-4-ylmethyl)pyridin-1-ium-3-ol trichloride CAS Name: 2-tert-butyl-4,6-bis(4-morpholin-4-iumylmethyl)-3-pyridin-1-iumol trichloride IUPAC Name: 2-tert-butyl-4,6-bis(morpholin-4-ium-4-ylmethyl)pyridin-1-ium-3-ol trichloride Traditional Name: 2-tert-butyl-4,6-bis(morpholin-4-ium-4-ylmethyl)pyridin-1-ium-3-ol trichloride Formula: C19H34Cl3N3O3 MolecularWeight: 458.85056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=[NH+]1)C[NH+]2CCOCC2)C[NH+]3CCOCC3)O.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=[NH+]1)C[NH+]2CCOCC2)C[NH+]3CCOCC3)O.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C19H31N3O3.3ClH/c1-19(2,3)18-17(23)15(13-21-4-8-24-9-5-21)12-16(20-18)14-22-6-10-25-11-7-22;;;/h12,23H,4-11,13-14H2,1-3H3;3*1H