[(1R)-1-(1-benzofuran-2-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]azanium

Systemtic Name: [(1R)-1-(1-benzofuran-2-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]azanium Openeye Name: [(1R)-1-(benzofuran-2-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]ammonium CAS Name: [(1R)-1-(2-benzofuranyl)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]ethyl]ammonium IUPAC Name: [(1R)-1-(1-benzofuran-2-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]azanium Traditional Name: [(1R)-1-(benzofuran-2-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]ammonium Formula: C16H24N2O+2 MolecularWeight: 260.37456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(C2=CC3=CC=CC=C3O2)[NH3+]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)C[C@H](C2=CC3=CC=CC=C3O2)[NH3+]

InChI

InChI=1S/C16H22N2O/c1-12-5-4-8-18(10-12)11-14(17)16-9-13-6-2-3-7-15(13)19-16/h2-3,6-7,9,12,14H,4-5,8,10-11,17H2,1H3/p+2/t12-,14+/m0/s1