2-morpholin-4-ium-4-yl-5-(thiophen-2-ylmethylamino)benzoate

Systemtic Name: 2-morpholin-4-ium-4-yl-5-(thiophen-2-ylmethylamino)benzoate Openeye Name: 2-morpholin-4-ium-4-yl-5-(2-thienylmethylamino)benzoate CAS Name: 2-(4-morpholin-4-iumyl)-5-(thiophen-2-ylmethylamino)benzoate IUPAC Name: 2-morpholin-4-ium-4-yl-5-(thiophen-2-ylmethylamino)benzoate Traditional Name: 2-morpholin-4-ium-4-yl-5-(2-thenylamino)benzoate Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C2=C(C=C(C=C2)NCC3=CC=CS3)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1C2=C(C=C(C=C2)NCC3=CC=CS3)C(=O)[O-]

InChI

InChI=1S/C16H18N2O3S/c19-16(20)14-10-12(17-11-13-2-1-9-22-13)3-4-15(14)18-5-7-21-8-6-18/h1-4,9-10,17H,5-8,11H2,(H,19,20)