[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-prop-2-ynyl-azanium chloride

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-prop-2-ynyl-azanium chloride Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl]-methyl-prop-2-ynyl-ammonium chloride CAS Name: [2-(4-bromoanilino)-2-oxoethyl]-methyl-prop-2-ynylammonium chloride IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl]-methyl-prop-2-ynylazanium chloride Traditional Name: [2-(4-bromoanilino)-2-keto-ethyl]-methyl-propargyl-ammonium chloride Formula: C12H14BrClN2O MolecularWeight: 317.60936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC#C)CC(=O)NC1=CC=C(C=C1)Br.[Cl-]

Isomeric SMILES

C[NH+](CC#C)CC(=O)NC1=CC=C(C=C1)Br.[Cl-]

InChI

InChI=1S/C12H13BrN2O.ClH/c1-3-8-15(2)9-12(16)14-11-6-4-10(13)5-7-11;/h1,4-7H,8-9H2,2H3,(H,14,16);1H