(2R,4R)-2-azaniumyl-4-(pyridin-3-ylmethyl)pentanedioate

Systemtic Name: (2R,4R)-2-azaniumyl-4-(pyridin-3-ylmethyl)pentanedioate Openeye Name: (2R,4R)-2-azaniumyl-4-(3-pyridylmethyl)pentanedioate CAS Name: (2R,4R)-2-ammonio-4-(3-pyridinylmethyl)pentanedioate IUPAC Name: (2R,4R)-2-azaniumyl-4-(pyridin-3-ylmethyl)pentanedioate Traditional Name: (2R,4R)-2-ammonio-4-(3-pyridylmethyl)glutarate Formula: C11H13N2O4- MolecularWeight: 237.23192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC(CC(C(=O)[O-])[NH3+])C(=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)C[C@H](C[C@H](C(=O)[O-])[NH3+])C(=O)[O-]

InChI

InChI=1S/C11H14N2O4/c12-9(11(16)17)5-8(10(14)15)4-7-2-1-3-13-6-7/h1-3,6,8-9H,4-5,12H2,(H,14,15)(H,16,17)/p-1/t8-,9-/m1/s1