[(1S)-1-(1-benzofuran-2-yl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)azanium

Systemtic Name: [(1S)-1-(1-benzofuran-2-yl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)azanium Openeye Name: [(1S)-1-(benzofuran-2-yl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)ammonium CAS Name: [(1S)-1-(2-benzofuranyl)ethyl]-[3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(1S)-1-(1-benzofuran-2-yl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)azanium Traditional Name: [(1S)-1-(benzofuran-2-yl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)ammonium Formula: C18H28N2O+2 MolecularWeight: 288.42772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)[NH2+]CCC[NH+]3CCCCC3

Isomeric SMILES

C[C@@H](C1=CC2=CC=CC=C2O1)[NH2+]CCC[NH+]3CCCCC3

InChI

InChI=1S/C18H26N2O/c1-15(18-14-16-8-3-4-9-17(16)21-18)19-10-7-13-20-11-5-2-6-12-20/h3-4,8-9,14-15,19H,2,5-7,10-13H2,1H3/p+2/t15-/m0/s1