5-[(4-ethoxy-3-methoxy-phenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate

Systemtic Name: 5-[(4-ethoxy-3-methoxy-phenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate Openeye Name: 5-[(4-ethoxy-3-methoxy-phenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate CAS Name: 5-[(4-ethoxy-3-methoxyphenyl)methylamino]-2-(4-morpholin-4-iumyl)benzoate IUPAC Name: 5-[(4-ethoxy-3-methoxyphenyl)methylamino]-2-morpholin-4-ium-4-ylbenzoate Traditional Name: 5-[(4-ethoxy-3-methoxy-benzyl)amino]-2-morpholin-4-ium-4-yl-benzoate Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC2=CC(=C(C=C2)[NH+]3CCOCC3)C(=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC2=CC(=C(C=C2)[NH+]3CCOCC3)C(=O)[O-])OC

InChI

InChI=1S/C21H26N2O5/c1-3-28-19-7-4-15(12-20(19)26-2)14-22-16-5-6-18(17(13-16)21(24)25)23-8-10-27-11-9-23/h4-7,12-13,22H,3,8-11,14H2,1-2H3,(H,24,25)