2-[4-[3-[(1S)-1-(dimethylazaniumyl)ethyl]phenyl]phenyl]ethanoate

Systemtic Name: 2-[4-[3-[(1S)-1-(dimethylazaniumyl)ethyl]phenyl]phenyl]ethanoate Openeye Name: 2-[4-[3-[(1S)-1-(dimethylammonio)ethyl]phenyl]phenyl]acetate CAS Name: 2-[4-[3-[(1S)-1-(dimethylammonio)ethyl]phenyl]phenyl]acetate IUPAC Name: 2-[4-[3-[(1S)-1-(dimethylazaniumyl)ethyl]phenyl]phenyl]acetate Traditional Name: 2-[4-[3-[(1S)-1-(dimethylammonio)ethyl]phenyl]phenyl]acetate Formula: C18H21NO2 MolecularWeight: 283.36484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO2/c1-13(19(2)3)16-5-4-6-17(12-16)15-9-7-14(8-10-15)11-18(20)21/h4-10,12-13H,11H2,1-3H3,(H,20,21)/t13-/m0/s1