[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(pyridin-2-ylmethyl)azanium

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(pyridin-2-ylmethyl)azanium Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-(2-pyridylmethyl)ammonium CAS Name: [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]-(2-pyridinylmethyl)ammonium IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-(pyridin-2-ylmethyl)azanium Traditional Name: [(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-(2-pyridylmethyl)ammonium Formula: C15H24N3O+ MolecularWeight: 262.37056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)[NH2+]CC2=CC=CC=N2

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)[NH2+]CC2=CC=CC=N2

InChI

InChI=1S/C15H23N3O/c1-13(17-12-14-8-4-5-9-16-14)15(19)18-10-6-2-3-7-11-18/h4-5,8-9,13,17H,2-3,6-7,10-12H2,1H3/p+1/t13-/m0/s1