ethyl 4-(3-phenylpropyl)-1-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-(3-phenylpropyl)-1-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-(3-phenylpropyl)-1-(2-pyridylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 4-(3-phenylpropyl)-1-(2-pyridinylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-phenylpropyl)-1-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-(3-phenylpropyl)-1-(2-pyridylmethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H31N2O2+ MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CC=N2)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CC=N2)CCCC3=CC=CC=C3

InChI

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