(2S)-4-(4-bromophenyl)-2-[3-(diethylazaniumyl)propylazaniumyl]-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-(4-bromophenyl)-2-[3-(diethylazaniumyl)propylazaniumyl]-4-oxidanylidene-butanoate Openeye Name: (2S)-4-(4-bromophenyl)-2-[3-(diethylammonio)propylammonio]-4-oxo-butanoate CAS Name: (2S)-4-(4-bromophenyl)-2-[3-(diethylammonio)propylammonio]-4-oxobutanoate IUPAC Name: (2S)-4-(4-bromophenyl)-2-[3-(diethylazaniumyl)propylazaniumyl]-4-oxobutanoate Traditional Name: (2S)-4-(4-bromophenyl)-2-[3-(diethylammonio)propylammonio]-4-keto-butyrate Formula: C17H26BrN2O3+ MolecularWeight: 386.30394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25BrN2O3/c1-3-20(4-2)11-5-10-19-15(17(22)23)12-16(21)13-6-8-14(18)9-7-13/h6-9,15,19H,3-5,10-12H2,1-2H3,(H,22,23)/p+1/t15-/m0/s1