(4-bromophenyl)methyl-[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (4-bromophenyl)methyl-[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (4-bromophenyl)methyl-[2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-bromophenyl)methyl-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-methylammonium IUPAC Name: (4-bromophenyl)methyl-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-methylazanium Traditional Name: (4-bromobenzyl)-[2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl]-methyl-ammonium Formula: C16H23BrN3O+ MolecularWeight: 353.27732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C[NH+](C)CC1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)CC1=CC=C(C=C1)Br

InChI

InChI=1S/C16H22BrN3O/c1-12(2)16(3,11-18)19-15(21)10-20(4)9-13-5-7-14(17)8-6-13/h5-8,12H,9-10H2,1-4H3,(H,19,21)/p+1/t16-/m0/s1