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

Systemtic Name: 2-morpholin-4-ium-4-yl-5-[(2,3,4-trimethoxyphenyl)methylamino]benzoate Openeye Name: 2-morpholin-4-ium-4-yl-5-[(2,3,4-trimethoxyphenyl)methylamino]benzoate CAS Name: 2-(4-morpholin-4-iumyl)-5-[(2,3,4-trimethoxyphenyl)methylamino]benzoate IUPAC Name: 2-morpholin-4-ium-4-yl-5-[(2,3,4-trimethoxyphenyl)methylamino]benzoate Traditional Name: 2-morpholin-4-ium-4-yl-5-[(2,3,4-trimethoxybenzyl)amino]benzoate Formula: C21H26N2O6 MolecularWeight: 402.44094

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6/c1-26-18-7-4-14(19(27-2)20(18)28-3)13-22-15-5-6-17(16(12-15)21(24)25)23-8-10-29-11-9-23/h4-7,12,22H,8-11,13H2,1-3H3,(H,24,25)