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

Systemtic Name: azane; [2-(4-azanyl-3-bromanyl-phenyl)-2-oxidanylidene-ethyl]-dimethyl-azanium; ethane; chloride Openeye Name: [2-(4-amino-3-bromo-phenyl)-2-oxo-ethyl]-dimethyl-ammonium; ammonia; ethane; chloride CAS Name: [2-(4-amino-3-bromophenyl)-2-oxoethyl]-dimethylammonium; ammonia; ethane; chloride IUPAC Name: [2-(4-amino-3-bromophenyl)-2-oxoethyl]-dimethylazanium; azane; ethane; chloride Traditional Name: [2-(4-amino-3-bromo-phenyl)-2-keto-ethyl]-dimethyl-ammonium; ammonia; ethane; chloride Formula: C12H23BrClN3O MolecularWeight: 340.68752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13BrN2O.C2H6.ClH.H3N/c1-13(2)6-10(14)7-3-4-9(12)8(11)5-7;1-2;;/h3-5H,6,12H2,1-2H3;1-2H3;1H;1H3