ethyl (3R)-3-(3-phenylpropyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-3-(3-phenylpropyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-3-(3-phenylpropyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxylate CAS Name: (3R)-3-(3-phenylpropyl)-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-(3-phenylpropyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxylate Traditional Name: (3R)-3-(3-phenylpropyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CCCN2C=CC=N2)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CCCN2C=CC=N2)CCCC3=CC=CC=C3

InChI

InChI=1S/C23H33N3O2/c1-2-28-22(27)23(13-6-12-21-10-4-3-5-11-21)14-7-16-25(20-23)17-9-19-26-18-8-15-24-26/h3-5,8,10-11,15,18H,2,6-7,9,12-14,16-17,19-20H2,1H3/p+1/t23-/m1/s1