[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-(pyridin-4-ylmethyl)azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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