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

Systemtic Name: 4-(4-methylpyrazin-4-ium-2-yl)heptane-1,2,6,7-tetrol Openeye Name: 4-(4-methylpyrazin-4-ium-2-yl)heptane-1,2,6,7-tetrol CAS Name: 4-(4-methyl-2-pyrazin-4-iumyl)heptane-1,2,6,7-tetrol IUPAC Name: 4-(4-methylpyrazin-4-ium-2-yl)heptane-1,2,6,7-tetrol Traditional Name: 4-(4-methylpyrazin-4-ium-2-yl)heptane-1,2,6,7-tetrol Formula: C12H21N2O4+ MolecularWeight: 257.30614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N2O4/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/q+1