2-[1-[[2-(4-methylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]pentanoic acid

Systemtic Name: 2-[1-[[2-(4-methylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]pentanoic acid Openeye Name: 2-[1-[[2-(p-tolyl)phenyl]methoxy]piperidin-1-ium-1-yl]pentanoic acid CAS Name: 2-[1-[[2-(4-methylphenyl)phenyl]methoxy]-1-piperidin-1-iumyl]pentanoic acid IUPAC Name: 2-[1-[[2-(4-methylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]pentanoic acid Traditional Name: 2-[1-[2-(p-tolyl)benzyl]oxypiperidin-1-ium-1-yl]valeric acid Formula: C24H32NO3+ MolecularWeight: 382.51578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO3/c1-3-9-23(24(26)27)25(16-7-4-8-17-25)28-18-21-10-5-6-11-22(21)20-14-12-19(2)13-15-20/h5-6,10-15,23H,3-4,7-9,16-18H2,1-2H3/p+1