2-[4-[(dimethylazaniumyl)methyl]phenyl]-5-methyl-benzoate

Systemtic Name: 2-[4-[(dimethylazaniumyl)methyl]phenyl]-5-methyl-benzoate Openeye Name: 2-[4-[(dimethylammonio)methyl]phenyl]-5-methyl-benzoate CAS Name: 2-[4-[(dimethylammonio)methyl]phenyl]-5-methylbenzoate IUPAC Name: 2-[4-[(dimethylazaniumyl)methyl]phenyl]-5-methylbenzoate Traditional Name: 2-[4-[(dimethylammonio)methyl]phenyl]-5-methyl-benzoate Formula: C17H19NO2 MolecularWeight: 269.33826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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