(3R)-4-[(4-bromophenyl)amino]-3-[2-(ethylazaniumyl)ethylazaniumyl]-4-oxidanylidene-butanoate

Systemtic Name: (3R)-4-[(4-bromophenyl)amino]-3-[2-(ethylazaniumyl)ethylazaniumyl]-4-oxidanylidene-butanoate Openeye Name: (3R)-4-(4-bromoanilino)-3-[2-(ethylammonio)ethylammonio]-4-oxo-butanoate CAS Name: (3R)-4-(4-bromoanilino)-3-[2-(ethylammonio)ethylammonio]-4-oxobutanoate IUPAC Name: (3R)-4-(4-bromoanilino)-3-[2-(ethylazaniumyl)ethylazaniumyl]-4-oxobutanoate Traditional Name: (3R)-4-(4-bromoanilino)-3-[2-(ethylammonio)ethylammonio]-4-keto-butyrate Formula: C14H21BrN3O3+ MolecularWeight: 359.23884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20BrN3O3/c1-2-16-7-8-17-12(9-13(19)20)14(21)18-11-5-3-10(15)4-6-11/h3-6,12,16-17H,2,7-9H2,1H3,(H,18,21)(H,19,20)/p+1/t12-/m1/s1