3-(4-ethylpiperazin-4-ium-1-yl)carbonylpyrazine-2-carboxylate

Systemtic Name: 3-(4-ethylpiperazin-4-ium-1-yl)carbonylpyrazine-2-carboxylate Openeye Name: 3-(4-ethylpiperazin-4-ium-1-carbonyl)pyrazine-2-carboxylate CAS Name: 3-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-2-pyrazinecarboxylate IUPAC Name: 3-(4-ethylpiperazin-4-ium-1-carbonyl)pyrazine-2-carboxylate Traditional Name: 3-(4-ethylpiperazin-4-ium-1-carbonyl)pyrazinate Formula: C12H16N4O3 MolecularWeight: 264.28044

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=NC=CN=C2C(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=NC=CN=C2C(=O)[O-]

InChI

InChI=1S/C12H16N4O3/c1-2-15-5-7-16(8-6-15)11(17)9-10(12(18)19)14-4-3-13-9/h3-4H,2,5-8H2,1H3,(H,18,19)