4,6-bis(piperidin-1-ium-1-ylmethyl)-2-(4-propan-2-ylphenyl)pyridin-1-ium-3-ol trichloride

Systemtic Name: 4,6-bis(piperidin-1-ium-1-ylmethyl)-2-(4-propan-2-ylphenyl)pyridin-1-ium-3-ol trichloride Openeye Name: 2-(4-isopropylphenyl)-4,6-bis(piperidin-1-ium-1-ylmethyl)pyridin-1-ium-3-ol trichloride CAS Name: 4,6-bis(1-piperidin-1-iumylmethyl)-2-(4-propan-2-ylphenyl)-3-pyridin-1-iumol trichloride IUPAC Name: 4,6-bis(piperidin-1-ium-1-ylmethyl)-2-(4-propan-2-ylphenyl)pyridin-1-ium-3-ol trichloride Traditional Name: 2-p-cumenyl-4,6-bis(piperidin-1-ium-1-ylmethyl)pyridin-1-ium-3-ol trichloride Formula: C26H40Cl3N3O MolecularWeight: 516.9743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=C(C(=CC(=[NH+]2)C[NH+]3CCCCC3)C[NH+]4CCCCC4)O.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=C(C(=CC(=[NH+]2)C[NH+]3CCCCC3)C[NH+]4CCCCC4)O.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C26H37N3O.3ClH/c1-20(2)21-9-11-22(12-10-21)25-26(30)23(18-28-13-5-3-6-14-28)17-24(27-25)19-29-15-7-4-8-16-29;;;/h9-12,17,20,30H,3-8,13-16,18-19H2,1-2H3;3*1H