2-[1-[[2-(4-ethylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]hexanoate

Systemtic Name: 2-[1-[[2-(4-ethylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]hexanoate Openeye Name: 2-[1-[[2-(4-ethylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]hexanoate CAS Name: 2-[1-[[2-(4-ethylphenyl)phenyl]methoxy]-1-piperidin-1-iumyl]hexanoate IUPAC Name: 2-[1-[[2-(4-ethylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]hexanoate Traditional Name: 2-[1-[2-(4-ethylphenyl)benzyl]oxypiperidin-1-ium-1-yl]hexanoate Formula: C26H35NO3 MolecularWeight: 409.561

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C26H35NO3/c1-3-5-13-25(26(28)29)27(18-9-6-10-19-27)30-20-23-11-7-8-12-24(23)22-16-14-21(4-2)15-17-22/h7-8,11-12,14-17,25H,3-6,9-10,13,18-20H2,1-2H3