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

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(2-pyridin-2-ylethyl)azanium Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-(2-pyridin-2-ylethyl)azanium Traditional Name: [(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-[2-(2-pyridyl)ethyl]ammonium Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)[NH2+]CCC2=CC=CC=N2

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)[NH2+]CCC2=CC=CC=N2

InChI

InChI=1S/C16H25N3O/c1-14(16(20)19-12-6-2-3-7-13-19)17-11-9-15-8-4-5-10-18-15/h4-5,8,10,14,17H,2-3,6-7,9,11-13H2,1H3/p+1/t14-/m0/s1