(2R)-4-(4-chlorophenyl)-2-(2-morpholin-4-ium-4-ylethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-(4-chlorophenyl)-2-(2-morpholin-4-ium-4-ylethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-chlorophenyl)-2-(2-morpholin-4-ium-4-ylethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-chlorophenyl)-2-[2-(4-morpholin-4-iumyl)ethylammonio]-4-oxobutanoate IUPAC Name: (2R)-4-(4-chlorophenyl)-2-(2-morpholin-4-ium-4-ylethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-chlorophenyl)-4-keto-2-(2-morpholin-4-ium-4-ylethylammonio)butyrate Formula: C16H22ClN2O4+ MolecularWeight: 341.80988

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC[NH2+]C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN2O4/c17-13-3-1-12(2-4-13)15(20)11-14(16(21)22)18-5-6-19-7-9-23-10-8-19/h1-4,14,18H,5-11H2,(H,21,22)/p+1/t14-/m1/s1