2-morpholin-4-ium-4-yl-5-(naphthalen-1-ylmethylamino)benzoate

Systemtic Name: 2-morpholin-4-ium-4-yl-5-(naphthalen-1-ylmethylamino)benzoate Openeye Name: 2-morpholin-4-ium-4-yl-5-(1-naphthylmethylamino)benzoate CAS Name: 2-(4-morpholin-4-iumyl)-5-(1-naphthalenylmethylamino)benzoate IUPAC Name: 2-morpholin-4-ium-4-yl-5-(naphthalen-1-ylmethylamino)benzoate Traditional Name: 2-morpholin-4-ium-4-yl-5-(1-naphthylmethylamino)benzoate Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C2=C(C=C(C=C2)NCC3=CC=CC4=CC=CC=C43)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1C2=C(C=C(C=C2)NCC3=CC=CC4=CC=CC=C43)C(=O)[O-]

InChI

InChI=1S/C22H22N2O3/c25-22(26)20-14-18(8-9-21(20)24-10-12-27-13-11-24)23-15-17-6-3-5-16-4-1-2-7-19(16)17/h1-9,14,23H,10-13,15H2,(H,25,26)