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

Systemtic Name: 2-phenyl-4,6-bis(piperidin-1-ium-1-ylmethyl)pyridin-1-ium-3-ol trichloride Openeye Name: 2-phenyl-4,6-bis(piperidin-1-ium-1-ylmethyl)pyridin-1-ium-3-ol trichloride CAS Name: 2-phenyl-4,6-bis(1-piperidin-1-iumylmethyl)-3-pyridin-1-iumol trichloride IUPAC Name: 2-phenyl-4,6-bis(piperidin-1-ium-1-ylmethyl)pyridin-1-ium-3-ol trichloride Traditional Name: 2-phenyl-4,6-bis(piperidin-1-ium-1-ylmethyl)pyridin-1-ium-3-ol trichloride Formula: C23H34Cl3N3O MolecularWeight: 474.89456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC(=[NH+]C(=C2O)C3=CC=CC=C3)C[NH+]4CCCCC4.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC(=[NH+]C(=C2O)C3=CC=CC=C3)C[NH+]4CCCCC4.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C23H31N3O.3ClH/c27-23-20(17-25-12-6-2-7-13-25)16-21(18-26-14-8-3-9-15-26)24-22(23)19-10-4-1-5-11-19;;;/h1,4-5,10-11,16,27H,2-3,6-9,12-15,17-18H2;3*1H