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

Systemtic Name: 4-(4-methylpyrazin-4-ium-2-yl)heptane-1,2,6,7-tetrol iodide Openeye Name: 4-(4-methylpyrazin-4-ium-2-yl)heptane-1,2,6,7-tetrol iodide CAS Name: 4-(4-methyl-2-pyrazin-4-iumyl)heptane-1,2,6,7-tetrol iodide IUPAC Name: 4-(4-methylpyrazin-4-ium-2-yl)heptane-1,2,6,7-tetrol iodide Traditional Name: 4-(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(CC(CO)O)CC(CO)O.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C12H21N2O4.HI/c1-14-3-2-13-12(6-14)9(4-10(17)7-15)5-11(18)8-16;/h2-3,6,9-11,15-18H,4-5,7-8H2,1H3;1H/q+1;/p-1