(2E,5Z)-2,5-bis[(1-methylpyridin-1-ium-4-yl)methylidene]cyclopentan-1-ol diiodide

Systemtic Name: (2E,5Z)-2,5-bis[(1-methylpyridin-1-ium-4-yl)methylidene]cyclopentan-1-ol diiodide Openeye Name: (2E,5Z)-2,5-bis[(1-methylpyridin-1-ium-4-yl)methylene]cyclopentanol diiodide CAS Name: (2E,5Z)-2,5-bis[(1-methyl-4-pyridin-1-iumyl)methylidene]-1-cyclopentanol diiodide IUPAC Name: (2E,5Z)-2,5-bis[(1-methylpyridin-1-ium-4-yl)methylidene]cyclopentan-1-ol diiodide Traditional Name: (2E,5Z)-2,5-bis[(1-methylpyridin-1-ium-4-yl)methylene]cyclopentanol diiodide Formula: C19H22I2N2O MolecularWeight: 548.19972

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C=C2CCC(=CC3=CC=[N+](C=C3)C)C2O.[I-].[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)/C=C/2\CC/C(=C/C3=CC=[N+](C=C3)C)/C2O.[I-].[I-]

InChI

InChI=1S/C19H22N2O.2HI/c1-20-9-5-15(6-10-20)13-17-3-4-18(19(17)22)14-16-7-11-21(2)12-8-16;;/h5-14,19,22H,3-4H2,1-2H3;2*1H/q+2;;/p-2/b17-13-,18-14+;;