3-[4-[2-(4-ethynylphenyl)ethynyl]phenyl]-1,1-bis(1-methylpyridin-1-ium-4-yl)prop-2-yn-1-ol

Systemtic Name: 3-[4-[2-(4-ethynylphenyl)ethynyl]phenyl]-1,1-bis(1-methylpyridin-1-ium-4-yl)prop-2-yn-1-ol Openeye Name: 3-[4-[2-(4-ethynylphenyl)ethynyl]phenyl]-1,1-bis(1-methylpyridin-1-ium-4-yl)prop-2-yn-1-ol CAS Name: 3-[4-[2-(4-ethynylphenyl)ethynyl]phenyl]-1,1-bis(1-methyl-4-pyridin-1-iumyl)-2-propyn-1-ol IUPAC Name: 3-[4-[2-(4-ethynylphenyl)ethynyl]phenyl]-1,1-bis(1-methylpyridin-1-ium-4-yl)prop-2-yn-1-ol Traditional Name: 3-[4-[2-(4-ethynylphenyl)ethynyl]phenyl]-1,1-bis(1-methylpyridin-1-ium-4-yl)prop-2-yn-1-ol Formula: C31H24N2O+2 MolecularWeight: 440.53506

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C(C#CC2=CC=C(C=C2)C#CC3=CC=C(C=C3)C#C)(C4=CC=[N+](C=C4)C)O

Isomeric SMILES

C[N+]1=CC=C(C=C1)C(C#CC2=CC=C(C=C2)C#CC3=CC=C(C=C3)C#C)(C4=CC=[N+](C=C4)C)O

InChI

InChI=1S/C31H24N2O/c1-4-25-5-7-26(8-6-25)9-10-27-11-13-28(14-12-27)15-20-31(34,29-16-21-32(2)22-17-29)30-18-23-33(3)24-19-30/h1,5-8,11-14,16-19,21-24,34H,2-3H3/q+2