tris[2-[1-(phenylmethyl)pyridin-1-ium-4-yl]ethyl]phosphane trichloride

Systemtic Name: tris[2-[1-(phenylmethyl)pyridin-1-ium-4-yl]ethyl]phosphane trichloride Openeye Name: tris[2-(1-benzylpyridin-1-ium-4-yl)ethyl]phosphane trichloride CAS Name: tris[2-[1-(phenylmethyl)-4-pyridin-1-iumyl]ethyl]phosphine trichloride IUPAC Name: tris[2-(1-benzylpyridin-1-ium-4-yl)ethyl]phosphane trichloride Traditional Name: tris[2-(1-benzylpyridin-1-ium-4-yl)ethyl]phosphine trichloride Formula: C42H45Cl3N3P MolecularWeight: 729.159561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)CCP(CCC3=CC=[N+](C=C3)CC4=CC=CC=C4)CCC5=CC=[N+](C=C5)CC6=CC=CC=C6.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)CCP(CCC3=CC=[N+](C=C3)CC4=CC=CC=C4)CCC5=CC=[N+](C=C5)CC6=CC=CC=C6.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C42H45N3P.3ClH/c1-4-10-40(11-5-1)34-43-25-16-37(17-26-43)22-31-46(32-23-38-18-27-44(28-19-38)35-41-12-6-2-7-13-41)33-24-39-20-29-45(30-21-39)36-42-14-8-3-9-15-42;;;/h1-21,25-30H,22-24,31-36H2;3*1H/q+3;;;/p-3