3-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamoyl]pyrazine-2-carboxylate

Systemtic Name: 3-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamoyl]pyrazine-2-carboxylate Openeye Name: 3-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamoyl]pyrazine-2-carboxylate CAS Name: 3-[oxo-[(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)amino]methyl]-2-pyrazinecarboxylate IUPAC Name: 3-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamoyl]pyrazine-2-carboxylate Traditional Name: 3-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamoyl]pyrazinate Formula: C15H22N4O3 MolecularWeight: 306.36018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=NC=CN=C2C(=O)[O-])C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=NC=CN=C2C(=O)[O-])C

InChI

InChI=1S/C15H22N4O3/c1-14(2)7-9(8-15(3,4)19-14)18-12(20)10-11(13(21)22)17-6-5-16-10/h5-6,9,19H,7-8H2,1-4H3,(H,18,20)(H,21,22)