3-[4-[(dimethylazaniumyl)methyl]phenyl]-4-methyl-benzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO2/c1-12-4-7-15(17(19)20)10-16(12)14-8-5-13(6-9-14)11-18(2)3/h4-10H,11H2,1-3H3,(H,19,20)