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

Systemtic Name: 3-[[(1S)-1-(1-benzofuran-2-yl)ethyl]azaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[(1S)-1-(benzofuran-2-yl)ethyl]ammonio]propyl-dimethyl-ammonium CAS Name: 3-[[(1S)-1-(2-benzofuranyl)ethyl]ammonio]propyl-dimethylammonium IUPAC Name: 3-[[(1S)-1-(1-benzofuran-2-yl)ethyl]azaniumyl]propyl-dimethylazanium Traditional Name: 3-[[(1S)-1-(benzofuran-2-yl)ethyl]ammonio]propyl-dimethyl-ammonium Formula: C15H24N2O+2 MolecularWeight: 248.36386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)[NH2+]CCC[NH+](C)C

Isomeric SMILES

C[C@@H](C1=CC2=CC=CC=C2O1)[NH2+]CCC[NH+](C)C

InChI

InChI=1S/C15H22N2O/c1-12(16-9-6-10-17(2)3)15-11-13-7-4-5-8-14(13)18-15/h4-5,7-8,11-12,16H,6,9-10H2,1-3H3/p+2/t12-/m0/s1