ethyl 4-[(3-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-(3-pyridylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 4-[(3-methoxyphenyl)methyl]-1-(3-pyridinylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-m-anisyl-1-(3-pyridylmethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CN=CC=C2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CN=CC=C2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H28N2O3/c1-3-27-21(25)22(15-18-6-4-8-20(14-18)26-2)9-12-24(13-10-22)17-19-7-5-11-23-16-19/h4-8,11,14,16H,3,9-10,12-13,15,17H2,1-2H3/p+1