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

Systemtic Name: [(2S)-4-methyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)pentan-2-yl]azanium Openeye Name: [(1S)-3-methyl-1-(4-pyridylmethylcarbamoyl)butyl]ammonium CAS Name: [(2S)-4-methyl-1-oxo-1-(pyridin-4-ylmethylamino)pentan-2-yl]ammonium IUPAC Name: [(2S)-4-methyl-1-oxo-1-(pyridin-4-ylmethylamino)pentan-2-yl]azanium Traditional Name: [(1S)-3-methyl-1-(4-pyridylmethylcarbamoyl)butyl]ammonium Formula: C12H20N3O+ MolecularWeight: 222.3067

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC1=CC=NC=C1)[NH3+]

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC1=CC=NC=C1)[NH3+]

InChI

InChI=1S/C12H19N3O/c1-9(2)7-11(13)12(16)15-8-10-3-5-14-6-4-10/h3-6,9,11H,7-8,13H2,1-2H3,(H,15,16)/p+1/t11-/m0/s1