2-[1-[[2-(4-chlorophenyl)phenyl]methoxy]piperidin-1-ium-1-yl]hexanoic acid

Systemtic Name: 2-[1-[[2-(4-chlorophenyl)phenyl]methoxy]piperidin-1-ium-1-yl]hexanoic acid Openeye Name: 2-[1-[[2-(4-chlorophenyl)phenyl]methoxy]piperidin-1-ium-1-yl]hexanoic acid CAS Name: 2-[1-[[2-(4-chlorophenyl)phenyl]methoxy]-1-piperidin-1-iumyl]hexanoic acid IUPAC Name: 2-[1-[[2-(4-chlorophenyl)phenyl]methoxy]piperidin-1-ium-1-yl]hexanoic acid Traditional Name: 2-[1-[2-(4-chlorophenyl)benzyl]oxypiperidin-1-ium-1-yl]hexanoic acid Formula: C24H31ClNO3+ MolecularWeight: 416.96084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)[N+]1(CCCCC1)OCC2=CC=CC=C2C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCC(C(=O)O)[N+]1(CCCCC1)OCC2=CC=CC=C2C3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H30ClNO3/c1-2-3-11-23(24(27)28)26(16-7-4-8-17-26)29-18-20-9-5-6-10-22(20)19-12-14-21(25)15-13-19/h5-6,9-10,12-15,23H,2-4,7-8,11,16-18H2,1H3/p+1