(2R)-4-[(2-bromophenyl)amino]-2-[2-(diethylazaniumyl)ethylazaniumyl]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(2-bromophenyl)amino]-2-[2-(diethylazaniumyl)ethylazaniumyl]-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2-bromoanilino)-2-[2-(diethylammonio)ethylammonio]-4-oxo-butanoate CAS Name: (2R)-4-(2-bromoanilino)-2-[2-(diethylammonio)ethylammonio]-4-oxobutanoate IUPAC Name: (2R)-4-(2-bromoanilino)-2-[2-(diethylazaniumyl)ethylazaniumyl]-4-oxobutanoate Traditional Name: (2R)-4-(2-bromoanilino)-2-[2-(diethylammonio)ethylammonio]-4-keto-butyrate Formula: C16H25BrN3O3+ MolecularWeight: 387.292

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[NH2+]C(CC(=O)NC1=CC=CC=C1Br)C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CC[NH2+][C@H](CC(=O)NC1=CC=CC=C1Br)C(=O)[O-]

InChI

InChI=1S/C16H24BrN3O3/c1-3-20(4-2)10-9-18-14(16(22)23)11-15(21)19-13-8-6-5-7-12(13)17/h5-8,14,18H,3-4,9-11H2,1-2H3,(H,19,21)(H,22,23)/p+1/t14-/m1/s1