[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]-(pyridin-2-ylmethyl)azanium

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]-(pyridin-2-ylmethyl)azanium Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl]-(2-pyridylmethyl)ammonium CAS Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]-(2-pyridinylmethyl)ammonium IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]-(pyridin-2-ylmethyl)azanium Traditional Name: [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl]-(2-pyridylmethyl)ammonium Formula: C13H22N3O+ MolecularWeight: 236.33328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)[NH2+]CC1=CC=CC=N1

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)[NH2+]CC1=CC=CC=N1

InChI

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