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

Systemtic Name: 2-[1-[[2-(4-ethoxyphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]hexanoic acid Openeye Name: 2-[1-[[2-(4-ethoxyphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]hexanoic acid CAS Name: 2-[1-[[2-(4-ethoxyphenyl)phenyl]methoxy]-1-piperidin-1-iumyl]hexanoic acid IUPAC Name: 2-[1-[[2-(4-ethoxyphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]hexanoic acid Traditional Name: 2-[1-(2-p-phenetylbenzyl)oxypiperidin-1-ium-1-yl]hexanoic acid Formula: C26H36NO4+ MolecularWeight: 426.56834

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C26H35NO4/c1-3-5-13-25(26(28)29)27(18-9-6-10-19-27)31-20-22-11-7-8-12-24(22)21-14-16-23(17-15-21)30-4-2/h7-8,11-12,14-17,25H,3-6,9-10,13,18-20H2,1-2H3/p+1