azane; [4-(4-azanyl-3-bromanyl-phenyl)-4-oxidanylidene-butan-2-yl]-dimethyl-azanium; chloride

Systemtic Name: azane; [4-(4-azanyl-3-bromanyl-phenyl)-4-oxidanylidene-butan-2-yl]-dimethyl-azanium; chloride Openeye Name: [3-(4-amino-3-bromo-phenyl)-1-methyl-3-oxo-propyl]-dimethyl-ammonium; ammonia; chloride CAS Name: [4-(4-amino-3-bromophenyl)-4-oxobutan-2-yl]-dimethylammonium; ammonia; chloride IUPAC Name: [4-(4-amino-3-bromophenyl)-4-oxobutan-2-yl]-dimethylazanium; azane; chloride Traditional Name: [3-(4-amino-3-bromo-phenyl)-3-keto-1-methyl-propyl]-dimethyl-ammonium; ammonia; chloride Formula: C12H21BrClN3O MolecularWeight: 338.67164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17BrN2O.ClH.H3N/c1-8(15(2)3)6-12(16)9-4-5-11(14)10(13)7-9;;/h4-5,7-8H,6,14H2,1-3H3;1H;1H3