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

Systemtic Name: 2-[1-[[2-(4-tert-butylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]hexanoic acid Openeye Name: 2-[1-[[2-(4-tert-butylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]hexanoic acid CAS Name: 2-[1-[[2-(4-tert-butylphenyl)phenyl]methoxy]-1-piperidin-1-iumyl]hexanoic acid IUPAC Name: 2-[1-[[2-(4-tert-butylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]hexanoic acid Traditional Name: 2-[1-[2-(4-tert-butylphenyl)benzyl]oxypiperidin-1-ium-1-yl]hexanoic acid Formula: C28H40NO3+ MolecularWeight: 438.6221

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H39NO3/c1-5-6-14-26(27(30)31)29(19-10-7-11-20-29)32-21-23-12-8-9-13-25(23)22-15-17-24(18-16-22)28(2,3)4/h8-9,12-13,15-18,26H,5-7,10-11,14,19-21H2,1-4H3/p+1