[(2S)-4-methyl-1-oxidanylidene-1-(2-pyridin-2-ylethylamino)pentan-2-yl]azanium

Systemtic Name: [(2S)-4-methyl-1-oxidanylidene-1-(2-pyridin-2-ylethylamino)pentan-2-yl]azanium Openeye Name: [(1S)-3-methyl-1-[2-(2-pyridyl)ethylcarbamoyl]butyl]ammonium CAS Name: [(2S)-4-methyl-1-oxo-1-[2-(2-pyridinyl)ethylamino]pentan-2-yl]ammonium IUPAC Name: [(2S)-4-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)pentan-2-yl]azanium Traditional Name: [(1S)-3-methyl-1-[2-(2-pyridyl)ethylcarbamoyl]butyl]ammonium Formula: C13H22N3O+ MolecularWeight: 236.33328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCC1=CC=CC=N1)[NH3+]

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCCC1=CC=CC=N1)[NH3+]

InChI

InChI=1S/C13H21N3O/c1-10(2)9-12(14)13(17)16-8-6-11-5-3-4-7-15-11/h3-5,7,10,12H,6,8-9,14H2,1-2H3,(H,16,17)/p+1/t12-/m0/s1