1-methyl-5-[(1-propan-2-ylpiperidin-1-ium-4-yl)carbamoyl]pyrazole-4-carboxylate

Systemtic Name: 1-methyl-5-[(1-propan-2-ylpiperidin-1-ium-4-yl)carbamoyl]pyrazole-4-carboxylate Openeye Name: 5-[(1-isopropylpiperidin-1-ium-4-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylate CAS Name: 1-methyl-5-[oxo-[(1-propan-2-yl-4-piperidin-1-iumyl)amino]methyl]-4-pyrazolecarboxylate IUPAC Name: 1-methyl-5-[(1-propan-2-ylpiperidin-1-ium-4-yl)carbamoyl]pyrazole-4-carboxylate Traditional Name: 5-[(1-isopropylpiperidin-1-ium-4-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylate Formula: C14H22N4O3 MolecularWeight: 294.34948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)C2=C(C=NN2C)C(=O)[O-]

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=O)C2=C(C=NN2C)C(=O)[O-]

InChI

InChI=1S/C14H22N4O3/c1-9(2)18-6-4-10(5-7-18)16-13(19)12-11(14(20)21)8-15-17(12)3/h8-10H,4-7H2,1-3H3,(H,16,19)(H,20,21)