ethyl (3S)-3-(2-methoxyethyl)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-3-(2-methoxyethyl)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(3-isobutyl-1H-pyrazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-3-(2-methoxyethyl)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-(2-methoxyethyl)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(3-isobutyl-1H-pyrazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H34N3O3+ MolecularWeight: 352.49156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CC(=NN2)CC(C)C)CCOC

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CC(=NN2)CC(C)C)CCOC

InChI

InChI=1S/C19H33N3O3/c1-5-25-18(23)19(8-10-24-4)7-6-9-22(14-19)13-17-12-16(20-21-17)11-15(2)3/h12,15H,5-11,13-14H2,1-4H3,(H,20,21)/p+1/t19-/m0/s1