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

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(2-cyanophenyl)azanium Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-(2-cyanophenyl)ammonium CAS Name: [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]-(2-cyanophenyl)ammonium IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-(2-cyanophenyl)azanium Traditional Name: [(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-(2-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=C2C#N

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)[NH2+]C2=CC=CC=C2C#N

InChI

InChI=1S/C16H21N3O/c1-13(16(20)19-10-6-2-3-7-11-19)18-15-9-5-4-8-14(15)12-17/h4-5,8-9,13,18H,2-3,6-7,10-11H2,1H3/p+1/t13-/m0/s1