4-[4-[3-(dimethylazaniumyl)propyl]-2-methoxy-phenyl]benzoate

Systemtic Name: 4-[4-[3-(dimethylazaniumyl)propyl]-2-methoxy-phenyl]benzoate Openeye Name: 4-[4-[3-(dimethylammonio)propyl]-2-methoxy-phenyl]benzoate CAS Name: 4-[4-[3-(dimethylammonio)propyl]-2-methoxyphenyl]benzoate IUPAC Name: 4-[4-[3-(dimethylazaniumyl)propyl]-2-methoxyphenyl]benzoate Traditional Name: 4-[4-[3-(dimethylammonio)propyl]-2-methoxy-phenyl]benzoate Formula: C19H23NO3 MolecularWeight: 313.39082

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)[O-])OC

Isomeric SMILES

C[NH+](C)CCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)[O-])OC

InChI

InChI=1S/C19H23NO3/c1-20(2)12-4-5-14-6-11-17(18(13-14)23-3)15-7-9-16(10-8-15)19(21)22/h6-11,13H,4-5,12H2,1-3H3,(H,21,22)