2-[3-[4-[(dimethylazaniumyl)methyl]phenyl]phenyl]ethanoate

Systemtic Name: 2-[3-[4-[(dimethylazaniumyl)methyl]phenyl]phenyl]ethanoate Openeye Name: 2-[3-[4-[(dimethylammonio)methyl]phenyl]phenyl]acetate CAS Name: 2-[3-[4-[(dimethylammonio)methyl]phenyl]phenyl]acetate IUPAC Name: 2-[3-[4-[(dimethylazaniumyl)methyl]phenyl]phenyl]acetate Traditional Name: 2-[3-[4-[(dimethylammonio)methyl]phenyl]phenyl]acetate Formula: C17H19NO2 MolecularWeight: 269.33826

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)C2=CC(=CC=C2)CC(=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)C2=CC(=CC=C2)CC(=O)[O-]

InChI

InChI=1S/C17H19NO2/c1-18(2)12-13-6-8-15(9-7-13)16-5-3-4-14(10-16)11-17(19)20/h3-10H,11-12H2,1-2H3,(H,19,20)