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

Systemtic Name: 3-[[(1S)-1-(5-bromanyl-1-benzofuran-2-yl)ethyl]azaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[(1S)-1-(5-bromobenzofuran-2-yl)ethyl]ammonio]propyl-dimethyl-ammonium CAS Name: 3-[[(1S)-1-(5-bromo-2-benzofuranyl)ethyl]ammonio]propyl-dimethylammonium IUPAC Name: 3-[[(1S)-1-(5-bromo-1-benzofuran-2-yl)ethyl]azaniumyl]propyl-dimethylazanium Traditional Name: 3-[[(1S)-1-(5-bromobenzofuran-2-yl)ethyl]ammonio]propyl-dimethyl-ammonium Formula: C15H23BrN2O+2 MolecularWeight: 327.25992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21BrN2O/c1-11(17-7-4-8-18(2)3)15-10-12-9-13(16)5-6-14(12)19-15/h5-6,9-11,17H,4,7-8H2,1-3H3/p+2/t11-/m0/s1