[(2S)-1-oxidanylidene-1-[[5-(pyridin-4-ylmethylamino)pyridin-2-yl]amino]propan-2-yl]azanium

Systemtic Name: [(2S)-1-oxidanylidene-1-[[5-(pyridin-4-ylmethylamino)pyridin-2-yl]amino]propan-2-yl]azanium Openeye Name: [(1S)-1-methyl-2-oxo-2-[[5-(4-pyridylmethylamino)-2-pyridyl]amino]ethyl]ammonium CAS Name: [(2S)-1-oxo-1-[[5-(pyridin-4-ylmethylamino)-2-pyridinyl]amino]propan-2-yl]ammonium IUPAC Name: [(2S)-1-oxo-1-[[5-(pyridin-4-ylmethylamino)pyridin-2-yl]amino]propan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-[[5-(4-pyridylmethylamino)-2-pyridyl]amino]ethyl]ammonium Formula: C14H18N5O+ MolecularWeight: 272.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)NCC2=CC=NC=C2)[NH3+]

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=C(C=C1)NCC2=CC=NC=C2)[NH3+]

InChI

InChI=1S/C14H17N5O/c1-10(15)14(20)19-13-3-2-12(9-18-13)17-8-11-4-6-16-7-5-11/h2-7,9-10,17H,8,15H2,1H3,(H,18,19,20)/p+1/t10-/m0/s1