2-morpholin-4-ium-4-yl-5-[(phenylmethyl)amino]benzoate

Systemtic Name: 2-morpholin-4-ium-4-yl-5-[(phenylmethyl)amino]benzoate Openeye Name: 5-(benzylamino)-2-morpholin-4-ium-4-yl-benzoate CAS Name: 2-(4-morpholin-4-iumyl)-5-[(phenylmethyl)amino]benzoate IUPAC Name: 5-(benzylamino)-2-morpholin-4-ium-4-ylbenzoate Traditional Name: 5-(benzylamino)-2-morpholin-4-ium-4-yl-benzoate Formula: C18H20N2O3 MolecularWeight: 312.363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3/c21-18(22)16-12-15(19-13-14-4-2-1-3-5-14)6-7-17(16)20-8-10-23-11-9-20/h1-7,12,19H,8-11,13H2,(H,21,22)