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

Systemtic Name: 1-(4-methylpyrazin-4-ium-2-yl)heptane-1,2,6,7-tetrol Openeye Name: 1-(4-methylpyrazin-4-ium-2-yl)heptane-1,2,6,7-tetrol CAS Name: 1-(4-methyl-2-pyrazin-4-iumyl)heptane-1,2,6,7-tetrol IUPAC Name: 1-(4-methylpyrazin-4-ium-2-yl)heptane-1,2,6,7-tetrol Traditional Name: 1-(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(C(CCCC(CO)O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H21N2O4/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/q+1