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

Systemtic Name: (2R)-4-[(2,4-dichlorophenyl)amino]-2-(2-diethylaminoethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2,4-dichloroanilino)-2-(2-diethylaminoethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(2,4-dichloroanilino)-2-(2-diethylaminoethylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(2,4-dichloroanilino)-2-(2-diethylaminoethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(2,4-dichloroanilino)-2-(2-diethylaminoethylammonio)-4-keto-butyrate Formula: C16H23Cl2N3O3 MolecularWeight: 376.27812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23Cl2N3O3/c1-3-21(4-2)8-7-19-14(16(23)24)10-15(22)20-13-6-5-11(17)9-12(13)18/h5-6,9,14,19H,3-4,7-8,10H2,1-2H3,(H,20,22)(H,23,24)/t14-/m1/s1