1-methyl-5-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methylcarbamoyl]pyrazole-4-carboxylate

Systemtic Name: 1-methyl-5-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methylcarbamoyl]pyrazole-4-carboxylate Openeye Name: 5-[(1-benzylpiperidin-1-ium-4-yl)methylcarbamoyl]-1-methyl-pyrazole-4-carboxylate CAS Name: 1-methyl-5-[oxo-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methylamino]methyl]-4-pyrazolecarboxylate IUPAC Name: 5-[(1-benzylpiperidin-1-ium-4-yl)methylcarbamoyl]-1-methylpyrazole-4-carboxylate Traditional Name: 5-[(1-benzylpiperidin-1-ium-4-yl)methylcarbamoyl]-1-methyl-pyrazole-4-carboxylate Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)[O-])C(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=C(C=N1)C(=O)[O-])C(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H24N4O3/c1-22-17(16(12-21-22)19(25)26)18(24)20-11-14-7-9-23(10-8-14)13-15-5-3-2-4-6-15/h2-6,12,14H,7-11,13H2,1H3,(H,20,24)(H,25,26)