[(2S)-2-(furan-2-yl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium

Systemtic Name: [(2S)-2-(furan-2-yl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium Openeye Name: [(2S)-2-(2-furyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium CAS Name: [(2S)-2-(2-furanyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium IUPAC Name: [(2S)-2-(furan-2-yl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium Traditional Name: [(2S)-2-(2-furyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium Formula: C12H23N3O+2 MolecularWeight: 225.33052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(C[NH3+])C2=CC=CO2

Isomeric SMILES

C[NH+]1CCCN(CC1)[C@@H](C[NH3+])C2=CC=CO2

InChI

InChI=1S/C12H21N3O/c1-14-5-3-6-15(8-7-14)11(10-13)12-4-2-9-16-12/h2,4,9,11H,3,5-8,10,13H2,1H3/p+2/t11-/m0/s1