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

Systemtic Name: 2-[1-[[2-(4-butylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]hexanoate Openeye Name: 2-[1-[[2-(4-butylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]hexanoate CAS Name: 2-[1-[[2-(4-butylphenyl)phenyl]methoxy]-1-piperidin-1-iumyl]hexanoate IUPAC Name: 2-[1-[[2-(4-butylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]hexanoate Traditional Name: 2-[1-[2-(4-butylphenyl)benzyl]oxypiperidin-1-ium-1-yl]hexanoate Formula: C28H39NO3 MolecularWeight: 437.61416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC=CC=C2CO[N+]3(CCCCC3)C(CCCC)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC=CC=C2CO[N+]3(CCCCC3)C(CCCC)C(=O)[O-]

InChI

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