1-phenyl-2-(phenylmethyl)pyridin-1-ium-3-ol; 1-phenyl-4-(phenylmethyl)pyridin-1-ium-3-ol; dichloride

Systemtic Name: 1-phenyl-2-(phenylmethyl)pyridin-1-ium-3-ol; 1-phenyl-4-(phenylmethyl)pyridin-1-ium-3-ol; dichloride Openeye Name: 2-benzyl-1-phenyl-pyridin-1-ium-3-ol; 4-benzyl-1-phenyl-pyridin-1-ium-3-ol; dichloride CAS Name: 1-phenyl-2-(phenylmethyl)-3-pyridin-1-iumol; 1-phenyl-4-(phenylmethyl)-3-pyridin-1-iumol; dichloride IUPAC Name: 2-benzyl-1-phenylpyridin-1-ium-3-ol; 4-benzyl-1-phenylpyridin-1-ium-3-ol; dichloride Traditional Name: 2-benzyl-1-phenyl-pyridin-1-ium-3-ol; 4-benzyl-1-phenyl-pyridin-1-ium-3-ol; dichloride Formula: C36H32Cl2N2O2 MolecularWeight: 595.55748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=[N+](C=C2)C3=CC=CC=C3)O.C1=CC=C(C=C1)CC2=C(C=CC=[N+]2C3=CC=CC=C3)O.[Cl-].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=[N+](C=C2)C3=CC=CC=C3)O.C1=CC=C(C=C1)CC2=C(C=CC=[N+]2C3=CC=CC=C3)O.[Cl-].[Cl-]

InChI

InChI=1S/2C18H15NO.2ClH/c20-18-12-7-13-19(16-10-5-2-6-11-16)17(18)14-15-8-3-1-4-9-15;20-18-14-19(17-9-5-2-6-10-17)12-11-16(18)13-15-7-3-1-4-8-15;;/h1-13H,14H2;1-12,14H,13H2;2*1H