(2R)-2-[[3-(4-bromophenyl)-3-oxidanylidene-propyl]azaniumyl]-3-methyl-butanoate

Systemtic Name: (2R)-2-[[3-(4-bromophenyl)-3-oxidanylidene-propyl]azaniumyl]-3-methyl-butanoate Openeye Name: (2R)-2-[[3-(4-bromophenyl)-3-oxo-propyl]ammonio]-3-methyl-butanoate CAS Name: (2R)-2-[[3-(4-bromophenyl)-3-oxopropyl]ammonio]-3-methylbutanoate IUPAC Name: (2R)-2-[[3-(4-bromophenyl)-3-oxopropyl]azaniumyl]-3-methylbutanoate Traditional Name: (2R)-2-[[3-(4-bromophenyl)-3-keto-propyl]ammonio]-3-methyl-butyrate Formula: C14H18BrNO3 MolecularWeight: 328.20162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO3/c1-9(2)13(14(18)19)16-8-7-12(17)10-3-5-11(15)6-4-10/h3-6,9,13,16H,7-8H2,1-2H3,(H,18,19)/t13-/m1/s1