sodium 3-methyl-2-(1-oxidanyl-1-pyrazin-2-yl-ethyl)pentanoate

Systemtic Name: sodium 3-methyl-2-(1-oxidanyl-1-pyrazin-2-yl-ethyl)pentanoate Openeye Name: sodium 2-(1-hydroxy-1-pyrazin-2-yl-ethyl)-3-methyl-pentanoate CAS Name: sodium 2-[1-hydroxy-1-(2-pyrazinyl)ethyl]-3-methylpentanoate IUPAC Name: sodium 2-(1-hydroxy-1-pyrazin-2-ylethyl)-3-methylpentanoate Traditional Name: sodium 2-(1-hydroxy-1-pyrazin-2-yl-ethyl)-3-methyl-valerate Formula: C12H17N2NaO3 MolecularWeight: 260.26475

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])C(C)(C1=NC=CN=C1)O.[Na+]

Isomeric SMILES

CCC(C)C(C(=O)[O-])C(C)(C1=NC=CN=C1)O.[Na+]

InChI

InChI=1S/C12H18N2O3.Na/c1-4-8(2)10(11(15)16)12(3,17)9-7-13-5-6-14-9;/h5-8,10,17H,4H2,1-3H3,(H,15,16);/q;+1/p-1