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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O/c1-3-4-7-15-13(17)11(2)16-10-12-5-8-14-9-6-12/h5-6,8-9,11,16H,3-4,7,10H2,1-2H3,(H,15,17)/p+1/t11-/m0/s1