3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonylpyrazine-2-carboxylate

Systemtic Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonylpyrazine-2-carboxylate Openeye Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]pyrazine-2-carboxylate CAS Name: 3-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-pyrazinecarboxylate IUPAC Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]pyrazine-2-carboxylate Traditional Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]pyrazinate Formula: C12H16N4O4 MolecularWeight: 280.27984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=O)C2=NC=CN=C2C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=O)C2=NC=CN=C2C(=O)[O-]

InChI

InChI=1S/C12H16N4O4/c17-8-7-15-3-5-16(6-4-15)11(18)9-10(12(19)20)14-2-1-13-9/h1-2,17H,3-8H2,(H,19,20)