(2-bromophenyl)methyl-methyl-[(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: (2-bromophenyl)methyl-methyl-[(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: (2-bromophenyl)methyl-methyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: (2-bromophenyl)methyl-methyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]ammonium IUPAC Name: (2-bromophenyl)methyl-methyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium Traditional Name: (2-bromobenzyl)-[(1S)-2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl]-methyl-ammonium Formula: C18H21BrN3O2+ MolecularWeight: 391.28224

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)[NH+](C)CC2=CC=CC=C2Br

Isomeric SMILES

CNC(=O)NC(=O)[C@H](C1=CC=CC=C1)[NH+](C)CC2=CC=CC=C2Br

InChI

InChI=1S/C18H20BrN3O2/c1-20-18(24)21-17(23)16(13-8-4-3-5-9-13)22(2)12-14-10-6-7-11-15(14)19/h3-11,16H,12H2,1-2H3,(H2,20,21,23,24)/p+1/t16-/m0/s1