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

Systemtic Name: ethyl 4-(2-phenoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-(2-phenoxyethyl)-1-(4-pyridylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 4-(2-phenoxyethyl)-1-(pyridin-4-ylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-phenoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-(2-phenoxyethyl)-1-(4-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=CC=NC=C2)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=NC=C2)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3/c1-2-26-21(25)22(12-17-27-20-6-4-3-5-7-20)10-15-24(16-11-22)18-19-8-13-23-14-9-19/h3-9,13-14H,2,10-12,15-18H2,1H3/p+1