2-[1-[[2-(4-tert-butylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoic acid

Systemtic Name: 2-[1-[[2-(4-tert-butylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoic acid Openeye Name: 2-[1-[[2-(4-tert-butylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoic acid CAS Name: 2-[1-[[2-(4-tert-butylphenyl)phenyl]methoxy]-1-piperidin-1-iumyl]propanoic acid IUPAC Name: 2-[1-[[2-(4-tert-butylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoic acid Traditional Name: 2-[1-[2-(4-tert-butylphenyl)benzyl]oxypiperidin-1-ium-1-yl]propionic acid Formula: C25H34NO3+ MolecularWeight: 396.54236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33NO3/c1-19(24(27)28)26(16-8-5-9-17-26)29-18-21-10-6-7-11-23(21)20-12-14-22(15-13-20)25(2,3)4/h6-7,10-15,19H,5,8-9,16-18H2,1-4H3/p+1