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

Systemtic Name: 5-[(3,4-diethoxyphenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate Openeye Name: 5-[(3,4-diethoxyphenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate CAS Name: 5-[(3,4-diethoxyphenyl)methylamino]-2-(4-morpholin-4-iumyl)benzoate IUPAC Name: 5-[(3,4-diethoxyphenyl)methylamino]-2-morpholin-4-ium-4-ylbenzoate Traditional Name: 5-[(3,4-diethoxybenzyl)amino]-2-morpholin-4-ium-4-yl-benzoate Formula: C22H28N2O5 MolecularWeight: 400.46812

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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-])OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5/c1-3-28-20-8-5-16(13-21(20)29-4-2)15-23-17-6-7-19(18(14-17)22(25)26)24-9-11-27-12-10-24/h5-8,13-14,23H,3-4,9-12,15H2,1-2H3,(H,25,26)