4-[[(3-chloranyl-4,5-dimethoxy-phenyl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(3-chloranyl-4,5-dimethoxy-phenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(3-chloro-4,5-dimethoxy-phenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(3-chloro-4,5-dimethoxyphenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(3-chloro-4,5-dimethoxyphenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(3-chloro-4,5-dimethoxy-benzyl)ammonio]methyl]benzoate Formula: C17H18ClNO4 MolecularWeight: 335.78212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])Cl)OC

InChI

InChI=1S/C17H18ClNO4/c1-22-15-8-12(7-14(18)16(15)23-2)10-19-9-11-3-5-13(6-4-11)17(20)21/h3-8,19H,9-10H2,1-2H3,(H,20,21)