ethyl (3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-3-(3-phenylpropyl)-1-(4-pyridylmethyl)piperidin-1-ium-3-carboxylate CAS Name: (3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3R)-3-(3-phenylpropyl)-1-(4-pyridylmethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C23H31N2O2+ MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CC=NC=C2)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CC=NC=C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O2/c1-2-27-22(26)23(13-6-10-20-8-4-3-5-9-20)14-7-17-25(19-23)18-21-11-15-24-16-12-21/h3-5,8-9,11-12,15-16H,2,6-7,10,13-14,17-19H2,1H3/p+1/t23-/m1/s1