[(2S)-2-(azepan-1-ium-1-yl)-2-(furan-2-yl)ethyl]azanium

Systemtic Name: [(2S)-2-(azepan-1-ium-1-yl)-2-(furan-2-yl)ethyl]azanium Openeye Name: [(2S)-2-(azepan-1-ium-1-yl)-2-(2-furyl)ethyl]ammonium CAS Name: [(2S)-2-(1-azepan-1-iumyl)-2-(2-furanyl)ethyl]ammonium IUPAC Name: [(2S)-2-(azepan-1-ium-1-yl)-2-(furan-2-yl)ethyl]azanium Traditional Name: [(2S)-2-(azepan-1-ium-1-yl)-2-(2-furyl)ethyl]ammonium Formula: C12H22N2O+2 MolecularWeight: 210.31588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(C[NH3+])C2=CC=CO2

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](C[NH3+])C2=CC=CO2

InChI

InChI=1S/C12H20N2O/c13-10-11(12-6-5-9-15-12)14-7-3-1-2-4-8-14/h5-6,9,11H,1-4,7-8,10,13H2/p+2/t11-/m0/s1