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

Systemtic Name: 1-methyl-5-[[(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methylcarbamoyl]pyrazole-4-carboxylate Openeye Name: 1-methyl-5-[[(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methylcarbamoyl]pyrazole-4-carboxylate CAS Name: 1-methyl-5-[oxo-[[(3R)-1-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methylamino]methyl]-4-pyrazolecarboxylate IUPAC Name: 1-methyl-5-[[(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methylcarbamoyl]pyrazole-4-carboxylate Traditional Name: 1-methyl-5-[[(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methylcarbamoyl]pyrazole-4-carboxylate Formula: C19H28N6O3 MolecularWeight: 388.46402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C[NH+]2CCCC(C2)CNC(=O)C3=C(C=NN3C)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C)C[NH+]2CCC[C@@H](C2)CNC(=O)C3=C(C=NN3C)C(=O)[O-]

InChI

InChI=1S/C19H28N6O3/c1-12-16(13(2)23(3)22-12)11-25-7-5-6-14(10-25)8-20-18(26)17-15(19(27)28)9-21-24(17)4/h9,14H,5-8,10-11H2,1-4H3,(H,20,26)(H,27,28)/t14-/m1/s1