2-[1-[[2-(4-methylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[1-[[2-(4-methylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]ethanoate Openeye Name: 2-[1-[[2-(p-tolyl)phenyl]methoxy]piperidin-1-ium-1-yl]acetate CAS Name: 2-[1-[[2-(4-methylphenyl)phenyl]methoxy]-1-piperidin-1-iumyl]acetate IUPAC Name: 2-[1-[[2-(4-methylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]acetate Traditional Name: 2-[1-[2-(p-tolyl)benzyl]oxypiperidin-1-ium-1-yl]acetate Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=CC=C2CO[N+]3(CCCCC3)CC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=CC=C2CO[N+]3(CCCCC3)CC(=O)[O-]

InChI

InChI=1S/C21H25NO3/c1-17-9-11-18(12-10-17)20-8-4-3-7-19(20)16-25-22(15-21(23)24)13-5-2-6-14-22/h3-4,7-12H,2,5-6,13-16H2,1H3