1-(phenylmethyl)-4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium dichloride hydrate

Systemtic Name: 1-(phenylmethyl)-4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium dichloride hydrate Openeye Name: 1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium dichloride hydrate CAS Name: 1-(phenylmethyl)-4-[1-(phenylmethyl)-4-pyridin-1-iumyl]pyridin-1-ium dichloride hydrate IUPAC Name: 1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium dichloride hydrate Traditional Name: 1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium dichloride hydrate Formula: C24H24Cl2N2O MolecularWeight: 427.36616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)CC4=CC=CC=C4.O.[Cl-].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)CC4=CC=CC=C4.O.[Cl-].[Cl-]

InChI

InChI=1S/C24H22N2.2ClH.H2O/c1-3-7-21(8-4-1)19-25-15-11-23(12-16-25)24-13-17-26(18-14-24)20-22-9-5-2-6-10-22;;;/h1-18H,19-20H2;2*1H;1H2/q+2;;;/p-2