(2R)-4-(4-bromophenyl)-2-[3-(diethylazaniumyl)propylamino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-(4-bromophenyl)-2-[3-(diethylazaniumyl)propylamino]-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-bromophenyl)-2-[3-(diethylammonio)propylamino]-4-oxo-butanoate CAS Name: (2R)-4-(4-bromophenyl)-2-[3-(diethylammonio)propylamino]-4-oxobutanoate IUPAC Name: (2R)-4-(4-bromophenyl)-2-[3-(diethylazaniumyl)propylamino]-4-oxobutanoate Traditional Name: (2R)-4-(4-bromophenyl)-2-[3-(diethylammonio)propylamino]-4-keto-butyrate Formula: C17H25BrN2O3 MolecularWeight: 385.296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[NH+](CC)CCCN[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)/t15-/m1/s1