[(2S)-1-oxidanylidene-1-[[5-(phenethylamino)pyridin-2-yl]amino]propan-2-yl]azanium

Systemtic Name: [(2S)-1-oxidanylidene-1-[[5-(phenethylamino)pyridin-2-yl]amino]propan-2-yl]azanium Openeye Name: [(1S)-1-methyl-2-oxo-2-[[5-(phenethylamino)-2-pyridyl]amino]ethyl]ammonium CAS Name: [(2S)-1-oxo-1-[[5-(phenethylamino)-2-pyridinyl]amino]propan-2-yl]ammonium IUPAC Name: [(2S)-1-oxo-1-[[5-(phenethylamino)pyridin-2-yl]amino]propan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-[[5-(phenethylamino)-2-pyridyl]amino]ethyl]ammonium Formula: C16H21N4O+ MolecularWeight: 285.36414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)NCCC2=CC=CC=C2)[NH3+]

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=C(C=C1)NCCC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C16H20N4O/c1-12(17)16(21)20-15-8-7-14(11-19-15)18-10-9-13-5-3-2-4-6-13/h2-8,11-12,18H,9-10,17H2,1H3,(H,19,20,21)/p+1/t12-/m0/s1