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

Systemtic Name: 3-[[(1S)-1-(3-ethyl-1-benzofuran-2-yl)ethyl]azaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[(1S)-1-(3-ethylbenzofuran-2-yl)ethyl]ammonio]propyl-dimethyl-ammonium CAS Name: 3-[[(1S)-1-(3-ethyl-2-benzofuranyl)ethyl]ammonio]propyl-dimethylammonium IUPAC Name: 3-[[(1S)-1-(3-ethyl-1-benzofuran-2-yl)ethyl]azaniumyl]propyl-dimethylazanium Traditional Name: 3-[[(1S)-1-(3-ethylbenzofuran-2-yl)ethyl]ammonio]propyl-dimethyl-ammonium Formula: C17H28N2O+2 MolecularWeight: 276.41702

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC2=CC=CC=C21)C(C)[NH2+]CCC[NH+](C)C

Isomeric SMILES

CCC1=C(OC2=CC=CC=C21)[C@H](C)[NH2+]CCC[NH+](C)C

InChI

InChI=1S/C17H26N2O/c1-5-14-15-9-6-7-10-16(15)20-17(14)13(2)18-11-8-12-19(3)4/h6-7,9-10,13,18H,5,8,11-12H2,1-4H3/p+2/t13-/m0/s1