1-methyl-5-[[(3R)-1-(phenylmethyl)piperidin-1-ium-3-yl]methylcarbamoyl]pyrazole-4-carboxylate

Systemtic Name: 1-methyl-5-[[(3R)-1-(phenylmethyl)piperidin-1-ium-3-yl]methylcarbamoyl]pyrazole-4-carboxylate Openeye Name: 5-[[(3R)-1-benzylpiperidin-1-ium-3-yl]methylcarbamoyl]-1-methyl-pyrazole-4-carboxylate CAS Name: 1-methyl-5-[oxo-[[(3R)-1-(phenylmethyl)-3-piperidin-1-iumyl]methylamino]methyl]-4-pyrazolecarboxylate IUPAC Name: 5-[[(3R)-1-benzylpiperidin-1-ium-3-yl]methylcarbamoyl]-1-methylpyrazole-4-carboxylate Traditional Name: 5-[[(3R)-1-benzylpiperidin-1-ium-3-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)NCC2CCC[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=C(C=N1)C(=O)[O-])C(=O)NC[C@H]2CCC[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C19H24N4O3/c1-22-17(16(11-21-22)19(25)26)18(24)20-10-15-8-5-9-23(13-15)12-14-6-3-2-4-7-14/h2-4,6-7,11,15H,5,8-10,12-13H2,1H3,(H,20,24)(H,25,26)/t15-/m1/s1