1-(4-methylpyrazin-4-ium-2-yl)heptane-1,2,6,7-tetrol iodide

Systemtic Name: 1-(4-methylpyrazin-4-ium-2-yl)heptane-1,2,6,7-tetrol iodide Openeye Name: 1-(4-methylpyrazin-4-ium-2-yl)heptane-1,2,6,7-tetrol iodide CAS Name: 1-(4-methyl-2-pyrazin-4-iumyl)heptane-1,2,6,7-tetrol iodide IUPAC Name: 1-(4-methylpyrazin-4-ium-2-yl)heptane-1,2,6,7-tetrol iodide Traditional Name: 1-(4-methylpyrazin-4-ium-2-yl)heptane-1,2,6,7-tetrol iodide Formula: C12H21IN2O4 MolecularWeight: 384.21061

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=NC=C1)C(C(CCCC(CO)O)O)O.[I-]

Isomeric SMILES

C[N+]1=CC(=NC=C1)C(C(CCCC(CO)O)O)O.[I-]

InChI

InChI=1S/C12H21N2O4.HI/c1-14-6-5-13-10(7-14)12(18)11(17)4-2-3-9(16)8-15;/h5-7,9,11-12,15-18H,2-4,8H2,1H3;1H/q+1;/p-1