(1-methylpyridin-1-ium-4-yl)methanol; 3,4,5-trimethoxybenzoate; iodide

Systemtic Name: (1-methylpyridin-1-ium-4-yl)methanol; 3,4,5-trimethoxybenzoate; iodide Openeye Name: (1-methylpyridin-1-ium-4-yl)methanol; 3,4,5-trimethoxybenzoate; iodide CAS Name: (1-methyl-4-pyridin-1-iumyl)methanol; 3,4,5-trimethoxybenzoate; iodide IUPAC Name: (1-methylpyridin-1-ium-4-yl)methanol; 3,4,5-trimethoxybenzoate; iodide Traditional Name: (1-methylpyridin-1-ium-4-yl)methanol; 3,4,5-trimethoxybenzoate; iodide Formula: C17H21INO6- MolecularWeight: 462.25621

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)CO.COC1=CC(=CC(=C1OC)OC)C(=O)[O-].[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)CO.COC1=CC(=CC(=C1OC)OC)C(=O)[O-].[I-]

InChI

InChI=1S/C10H12O5.C7H10NO.HI/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3;1-8-4-2-7(6-9)3-5-8;/h4-5H,1-3H3,(H,11,12);2-5,9H,6H2,1H3;1H/q;+1;/p-2