3-[3-(diethylazaniumyl)propylcarbamoyl]pyrazine-2-carboxylate

Systemtic Name: 3-[3-(diethylazaniumyl)propylcarbamoyl]pyrazine-2-carboxylate Openeye Name: 3-[3-(diethylammonio)propylcarbamoyl]pyrazine-2-carboxylate CAS Name: 3-[[3-(diethylammonio)propylamino]-oxomethyl]-2-pyrazinecarboxylate IUPAC Name: 3-[3-(diethylazaniumyl)propylcarbamoyl]pyrazine-2-carboxylate Traditional Name: 3-[3-(diethylammonio)propylcarbamoyl]pyrazinate Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)C1=NC=CN=C1C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)C1=NC=CN=C1C(=O)[O-]

InChI

InChI=1S/C13H20N4O3/c1-3-17(4-2)9-5-6-16-12(18)10-11(13(19)20)15-8-7-14-10/h7-8H,3-6,9H2,1-2H3,(H,16,18)(H,19,20)