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

Systemtic Name: 4-[4-[(S)-(4-chlorophenyl)-pyridin-2-yl-methoxy]piperidin-1-ium-1-yl]butanoate Openeye Name: 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]butanoate IUPAC Name: 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]butyrate Formula: C21H25ClN2O3 MolecularWeight: 388.8878

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CCCC(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1O[C@@H](C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CCCC(=O)[O-]

InChI

InChI=1S/C21H25ClN2O3/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26)/t21-/m0/s1