[(1R)-2-(azepan-1-ium-1-yl)-1-(1-benzofuran-2-yl)ethyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(C2=CC3=CC=CC=C3O2)[NH3+]

Isomeric SMILES

C1CCC[NH+](CC1)C[C@H](C2=CC3=CC=CC=C3O2)[NH3+]

InChI

InChI=1S/C16H22N2O/c17-14(12-18-9-5-1-2-6-10-18)16-11-13-7-3-4-8-15(13)19-16/h3-4,7-8,11,14H,1-2,5-6,9-10,12,17H2/p+2/t14-/m1/s1