ethyl (3S)-3-(2-methoxyethyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-3-(2-methoxyethyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-(2-methoxyethyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-3-(2-methoxyethyl)-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-(2-methoxyethyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-(2-methoxyethyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H30N3O3+ MolecularWeight: 324.4384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CCCN2C=CC=N2)CCOC

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CCCN2C=CC=N2)CCOC

InChI

InChI=1S/C17H29N3O3/c1-3-23-16(21)17(8-14-22-2)7-4-10-19(15-17)11-6-13-20-12-5-9-18-20/h5,9,12H,3-4,6-8,10-11,13-15H2,1-2H3/p+1/t17-/m0/s1