[(1S)-2-[2-[(3-bromophenyl)carbonylamino]ethanoylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[2-[(3-bromophenyl)carbonylamino]ethanoylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[2-[[(3-bromophenyl)-oxomethyl]amino]-1-oxoethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C19H23BrN3O2+ MolecularWeight: 405.30882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CNC(=O)C1=CC(=CC=C1)Br)C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CNC(=O)C1=CC(=CC=C1)Br)C2=CC=CC=C2

InChI

InChI=1S/C19H22BrN3O2/c1-23(2)17(14-7-4-3-5-8-14)12-21-18(24)13-22-19(25)15-9-6-10-16(20)11-15/h3-11,17H,12-13H2,1-2H3,(H,21,24)(H,22,25)/p+1/t17-/m1/s1