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

Systemtic Name: 5-[(2-ethoxy-3-methoxy-phenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate Openeye Name: 5-[(2-ethoxy-3-methoxy-phenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate CAS Name: 5-[(2-ethoxy-3-methoxyphenyl)methylamino]-2-(4-morpholin-4-iumyl)benzoate IUPAC Name: 5-[(2-ethoxy-3-methoxyphenyl)methylamino]-2-morpholin-4-ium-4-ylbenzoate Traditional Name: 5-[(2-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=CC=C1OC)CNC2=CC(=C(C=C2)[NH+]3CCOCC3)C(=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC=C1OC)CNC2=CC(=C(C=C2)[NH+]3CCOCC3)C(=O)[O-]

InChI

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