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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CN=CC=C2)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CN=CC=C2)CCC3=CC=CC=C3

InChI

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