ethyl 4-[4-[(S)-(4-chlorophenyl)-pyridin-2-yl-methoxy]piperidin-1-ium-1-yl]butanoate

Systemtic Name: ethyl 4-[4-[(S)-(4-chlorophenyl)-pyridin-2-yl-methoxy]piperidin-1-ium-1-yl]butanoate Openeye Name: ethyl 4-[4-[(S)-(4-chlorophenyl)-(2-pyridyl)methoxy]piperidin-1-ium-1-yl]butanoate CAS Name: 4-[4-[(S)-(4-chlorophenyl)-(2-pyridinyl)methoxy]-1-piperidin-1-iumyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(S)-(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-ium-1-yl]butanoate Traditional Name: 4-[4-[(S)-(4-chlorophenyl)-(2-pyridyl)methoxy]piperidin-1-ium-1-yl]butyric acid ethyl ester Formula: C23H30ClN2O3+ MolecularWeight: 417.9489

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC[NH+]1CCC(CC1)OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3

Isomeric SMILES

CCOC(=O)CCC[NH+]1CCC(CC1)O[C@@H](C2=CC=C(C=C2)Cl)C3=CC=CC=N3

InChI

InChI=1S/C23H29ClN2O3/c1-2-28-22(27)7-5-15-26-16-12-20(13-17-26)29-23(21-6-3-4-14-25-21)18-8-10-19(24)11-9-18/h3-4,6,8-11,14,20,23H,2,5,7,12-13,15-17H2,1H3/p+1/t23-/m0/s1