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

Systemtic Name: 3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonylpyrazine-2-carboxylate Openeye Name: 3-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]pyrazine-2-carboxylate CAS Name: 3-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]-2-pyrazinecarboxylate IUPAC Name: 3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]pyrazine-2-carboxylate Traditional Name: 3-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]pyrazinate Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=NC=CN=C3C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=NC=CN=C3C(=O)[O-]

InChI

InChI=1S/C16H17N5O3/c22-15(13-14(16(23)24)19-6-5-18-13)21-9-7-20(8-10-21)11-12-1-3-17-4-2-12/h1-6H,7-11H2,(H,23,24)