5-[(3,4-dimethoxyphenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate

Systemtic Name: 5-[(3,4-dimethoxyphenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate Openeye Name: 5-[(3,4-dimethoxyphenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate CAS Name: 5-[(3,4-dimethoxyphenyl)methylamino]-2-(4-morpholin-4-iumyl)benzoate IUPAC Name: 5-[(3,4-dimethoxyphenyl)methylamino]-2-morpholin-4-ium-4-ylbenzoate Traditional Name: 2-morpholin-4-ium-4-yl-5-(veratrylamino)benzoate Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=CC(=C(C=C2)[NH+]3CCOCC3)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=CC(=C(C=C2)[NH+]3CCOCC3)C(=O)[O-])OC

InChI

InChI=1S/C20H24N2O5/c1-25-18-6-3-14(11-19(18)26-2)13-21-15-4-5-17(16(12-15)20(23)24)22-7-9-27-10-8-22/h3-6,11-12,21H,7-10,13H2,1-2H3,(H,23,24)