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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]-(2-pyridin-2-ylethyl)azanium Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl]-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-(2-pyridin-2-ylethyl)azanium Traditional Name: [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl]-[2-(2-pyridyl)ethyl]ammonium Formula: C13H22N3O+ MolecularWeight: 236.33328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)[NH2+]CCC1=CC=CC=N1

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)[NH2+]CCC1=CC=CC=N1

InChI

InChI=1S/C13H21N3O/c1-10(2)16-13(17)11(3)14-9-7-12-6-4-5-8-15-12/h4-6,8,10-11,14H,7,9H2,1-3H3,(H,16,17)/p+1/t11-/m0/s1