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

Systemtic Name: 4-[4-[(dimethylazaniumyl)methyl]-2-methoxy-phenyl]benzoate Openeye Name: 4-[4-[(dimethylammonio)methyl]-2-methoxy-phenyl]benzoate CAS Name: 4-[4-[(dimethylammonio)methyl]-2-methoxyphenyl]benzoate IUPAC Name: 4-[4-[(dimethylazaniumyl)methyl]-2-methoxyphenyl]benzoate Traditional Name: 4-[4-[(dimethylammonio)methyl]-2-methoxy-phenyl]benzoate Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO3/c1-18(2)11-12-4-9-15(16(10-12)21-3)13-5-7-14(8-6-13)17(19)20/h4-10H,11H2,1-3H3,(H,19,20)