[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(2-cyanoethyl)-methyl-azanium

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(2-cyanoethyl)-methyl-azanium Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-(2-cyanoethyl)-methyl-ammonium CAS Name: [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]-(2-cyanoethyl)-methylammonium IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-(2-cyanoethyl)-methylazanium Traditional Name: [(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-(2-cyanoethyl)-methyl-ammonium Formula: C13H24N3O+ MolecularWeight: 238.34916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)[NH+](C)CCC#N

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)[NH+](C)CCC#N

InChI

InChI=1S/C13H23N3O/c1-12(15(2)9-7-8-14)13(17)16-10-5-3-4-6-11-16/h12H,3-7,9-11H2,1-2H3/p+1/t12-/m0/s1