(2R)-4-[(4-chlorophenyl)amino]-2-(2-diethylaminoethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(4-chlorophenyl)amino]-2-(2-diethylaminoethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-chloroanilino)-2-(2-diethylaminoethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-chloroanilino)-2-(2-diethylaminoethylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-chloroanilino)-2-(2-diethylaminoethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-chloroanilino)-2-(2-diethylaminoethylammonio)-4-keto-butyrate Formula: C16H24ClN3O3 MolecularWeight: 341.83306

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[NH2+]C(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)[O-]

Isomeric SMILES

CCN(CC)CC[NH2+][C@H](CC(=O)NC1=CC=C(C=C1)Cl)C(=O)[O-]

InChI

InChI=1S/C16H24ClN3O3/c1-3-20(4-2)10-9-18-14(16(22)23)11-15(21)19-13-7-5-12(17)6-8-13/h5-8,14,18H,3-4,9-11H2,1-2H3,(H,19,21)(H,22,23)/t14-/m1/s1