[(2S)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: [(2S)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: [(1S)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl]-(4-pyridylmethyl)ammonium CAS Name: [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: [(1S)-2-(tert-butylamino)-2-keto-1-methyl-ethyl]-(4-pyridylmethyl)ammonium Formula: C13H22N3O+ MolecularWeight: 236.33328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)[NH2+]CC1=CC=NC=C1

Isomeric SMILES

C[C@@H](C(=O)NC(C)(C)C)[NH2+]CC1=CC=NC=C1

InChI

InChI=1S/C13H21N3O/c1-10(12(17)16-13(2,3)4)15-9-11-5-7-14-8-6-11/h5-8,10,15H,9H2,1-4H3,(H,16,17)/p+1/t10-/m0/s1