(2S)-4-(4-chlorophenyl)-2-[2-(diethylazaniumyl)ethylazaniumyl]-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-(4-chlorophenyl)-2-[2-(diethylazaniumyl)ethylazaniumyl]-4-oxidanylidene-butanoate Openeye Name: (2S)-4-(4-chlorophenyl)-2-[2-(diethylammonio)ethylammonio]-4-oxo-butanoate CAS Name: (2S)-4-(4-chlorophenyl)-2-[2-(diethylammonio)ethylammonio]-4-oxobutanoate IUPAC Name: (2S)-4-(4-chlorophenyl)-2-[2-(diethylazaniumyl)ethylazaniumyl]-4-oxobutanoate Traditional Name: (2S)-4-(4-chlorophenyl)-2-[2-(diethylammonio)ethylammonio]-4-keto-butyrate Formula: C16H24ClN2O3+ MolecularWeight: 327.82636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN2O3/c1-3-19(4-2)10-9-18-14(16(21)22)11-15(20)12-5-7-13(17)8-6-12/h5-8,14,18H,3-4,9-11H2,1-2H3,(H,21,22)/p+1/t14-/m0/s1