3-(4-ethynylphenyl)-1,1-bis(1-methylpyridin-1-ium-4-yl)prop-2-yn-1-ol dichloride

Systemtic Name: 3-(4-ethynylphenyl)-1,1-bis(1-methylpyridin-1-ium-4-yl)prop-2-yn-1-ol dichloride Openeye Name: 3-(4-ethynylphenyl)-1,1-bis(1-methylpyridin-1-ium-4-yl)prop-2-yn-1-ol dichloride CAS Name: 3-(4-ethynylphenyl)-1,1-bis(1-methyl-4-pyridin-1-iumyl)-2-propyn-1-ol dichloride IUPAC Name: 3-(4-ethynylphenyl)-1,1-bis(1-methylpyridin-1-ium-4-yl)prop-2-yn-1-ol dichloride Traditional Name: 3-(4-ethynylphenyl)-1,1-bis(1-methylpyridin-1-ium-4-yl)prop-2-yn-1-ol dichloride Formula: C23H20Cl2N2O MolecularWeight: 411.3237

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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#C)(C3=CC=[N+](C=C3)C)O.[Cl-].[Cl-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C(C#CC2=CC=C(C=C2)C#C)(C3=CC=[N+](C=C3)C)O.[Cl-].[Cl-]

InChI

InChI=1S/C23H20N2O.2ClH/c1-4-19-5-7-20(8-6-19)9-14-23(26,21-10-15-24(2)16-11-21)22-12-17-25(3)18-13-22;;/h1,5-8,10-13,15-18,26H,2-3H3;2*1H/q+2;;/p-2