[3-[[(1S)-1-(5-bromanyl-1-benzofuran-2-yl)ethyl]azaniumyl]-2,2-dimethyl-propyl]-dimethyl-azanium

Systemtic Name: [3-[[(1S)-1-(5-bromanyl-1-benzofuran-2-yl)ethyl]azaniumyl]-2,2-dimethyl-propyl]-dimethyl-azanium Openeye Name: [3-[[(1S)-1-(5-bromobenzofuran-2-yl)ethyl]ammonio]-2,2-dimethyl-propyl]-dimethyl-ammonium CAS Name: [3-[[(1S)-1-(5-bromo-2-benzofuranyl)ethyl]ammonio]-2,2-dimethylpropyl]-dimethylammonium IUPAC Name: [3-[[(1S)-1-(5-bromo-1-benzofuran-2-yl)ethyl]azaniumyl]-2,2-dimethylpropyl]-dimethylazanium Traditional Name: [3-[[(1S)-1-(5-bromobenzofuran-2-yl)ethyl]ammonio]-2,2-dimethyl-propyl]-dimethyl-ammonium Formula: C17H27BrN2O+2 MolecularWeight: 355.31308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(O1)C=CC(=C2)Br)[NH2+]CC(C)(C)C[NH+](C)C

Isomeric SMILES

C[C@@H](C1=CC2=C(O1)C=CC(=C2)Br)[NH2+]CC(C)(C)C[NH+](C)C

InChI

InChI=1S/C17H25BrN2O/c1-12(19-10-17(2,3)11-20(4)5)16-9-13-8-14(18)6-7-15(13)21-16/h6-9,12,19H,10-11H2,1-5H3/p+2/t12-/m0/s1