[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(3-cyanophenyl)azanium

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(3-cyanophenyl)azanium Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-(3-cyanophenyl)ammonium CAS Name: [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]-(3-cyanophenyl)ammonium IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-(3-cyanophenyl)azanium Traditional Name: [(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-(3-cyanophenyl)ammonium Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)[NH2+]C2=CC=CC(=C2)C#N

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)[NH2+]C2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H21N3O/c1-13(16(20)19-9-4-2-3-5-10-19)18-15-8-6-7-14(11-15)12-17/h6-8,11,13,18H,2-5,9-10H2,1H3/p+1/t13-/m0/s1