(2R)-4-[(3-fluorophenyl)amino]-2-(3-morpholin-4-ium-4-ylpropylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(3-fluorophenyl)amino]-2-(3-morpholin-4-ium-4-ylpropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(3-fluoroanilino)-2-(3-morpholin-4-ium-4-ylpropylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(3-fluoroanilino)-2-[3-(4-morpholin-4-iumyl)propylammonio]-4-oxobutanoate IUPAC Name: (2R)-4-(3-fluoroanilino)-2-(3-morpholin-4-ium-4-ylpropylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(3-fluoroanilino)-4-keto-2-(3-morpholin-4-ium-4-ylpropylammonio)butyrate Formula: C17H25FN3O4+ MolecularWeight: 354.396503

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC[NH2+]C(CC(=O)NC2=CC(=CC=C2)F)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCC[NH2+][C@H](CC(=O)NC2=CC(=CC=C2)F)C(=O)[O-]

InChI

InChI=1S/C17H24FN3O4/c18-13-3-1-4-14(11-13)20-16(22)12-15(17(23)24)19-5-2-6-21-7-9-25-10-8-21/h1,3-4,11,15,19H,2,5-10,12H2,(H,20,22)(H,23,24)/p+1/t15-/m1/s1