[(2S,3S)-3-methyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)pentan-2-yl]azanium

Systemtic Name: [(2S,3S)-3-methyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)pentan-2-yl]azanium Openeye Name: [(1S,2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]ammonium CAS Name: [(2S,3S)-3-methyl-1-oxo-1-(2-pyridinylmethylamino)pentan-2-yl]ammonium IUPAC Name: [(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]azanium Traditional Name: [(1S,2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]ammonium Formula: C12H20N3O+ MolecularWeight: 222.3067

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1=CC=CC=N1)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC1=CC=CC=N1)[NH3+]

InChI

InChI=1S/C12H19N3O/c1-3-9(2)11(13)12(16)15-8-10-6-4-5-7-14-10/h4-7,9,11H,3,8,13H2,1-2H3,(H,15,16)/p+1/t9-,11-/m0/s1