[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-butyl-azanium

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-butyl-azanium Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-butyl-ammonium CAS Name: [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl]-butylammonium IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]-butylazanium Traditional Name: [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-butyl-ammonium Formula: C13H27N2O+ MolecularWeight: 227.36628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]C(C)C(=O)N1CCCCCC1

Isomeric SMILES

CCCC[NH2+][C@H](C)C(=O)N1CCCCCC1

InChI

InChI=1S/C13H26N2O/c1-3-4-9-14-12(2)13(16)15-10-7-5-6-8-11-15/h12,14H,3-11H2,1-2H3/p+1/t12-/m1/s1