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

Systemtic Name: ethyl (3R)-3-phenethyl-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-3-phenethyl-1-(4-pyridylmethyl)piperidin-1-ium-3-carboxylate CAS Name: (3R)-3-phenethyl-1-(pyridin-4-ylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-phenethyl-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3R)-3-phenethyl-1-(4-pyridylmethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CC=NC=C2)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CC=NC=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O2/c1-2-26-21(25)22(13-9-19-7-4-3-5-8-19)12-6-16-24(18-22)17-20-10-14-23-15-11-20/h3-5,7-8,10-11,14-15H,2,6,9,12-13,16-18H2,1H3/p+1/t22-/m0/s1