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

Systemtic Name: 2-morpholin-4-ium-4-yl-5-[(3-phenylmethoxyphenyl)methylamino]benzoate Openeye Name: 5-[(3-benzyloxyphenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate CAS Name: 2-(4-morpholin-4-iumyl)-5-[(3-phenylmethoxyphenyl)methylamino]benzoate IUPAC Name: 2-morpholin-4-ium-4-yl-5-[(3-phenylmethoxyphenyl)methylamino]benzoate Traditional Name: 5-[(3-benzoxybenzyl)amino]-2-morpholin-4-ium-4-yl-benzoate Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C2=C(C=C(C=C2)NCC3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1C2=C(C=C(C=C2)NCC3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C25H26N2O4/c28-25(29)23-16-21(9-10-24(23)27-11-13-30-14-12-27)26-17-20-7-4-8-22(15-20)31-18-19-5-2-1-3-6-19/h1-10,15-16,26H,11-14,17-18H2,(H,28,29)