sodium 5-(4-pyridin-3-ylimidazol-1-yl)pentanoate

Systemtic Name: sodium 5-(4-pyridin-3-ylimidazol-1-yl)pentanoate Openeye Name: sodium 5-[4-(3-pyridyl)imidazol-1-yl]pentanoate CAS Name: sodium 5-[4-(3-pyridinyl)-1-imidazolyl]pentanoate IUPAC Name: sodium 5-(4-pyridin-3-ylimidazol-1-yl)pentanoate Traditional Name: sodium 5-[4-(3-pyridyl)imidazol-1-yl]valerate Formula: C13H14N3NaO2 MolecularWeight: 267.25893

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=CN(C=N2)CCCCC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CN=C1)C2=CN(C=N2)CCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C13H15N3O2.Na/c17-13(18)5-1-2-7-16-9-12(15-10-16)11-4-3-6-14-8-11;/h3-4,6,8-10H,1-2,5,7H2,(H,17,18);/q;+1/p-1