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

Systemtic Name: [(2S)-1-oxidanylidene-1-[[5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-2-yl]amino]propan-2-yl]azanium Openeye Name: [(1S)-1-methyl-2-oxo-2-[[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridyl]amino]ethyl]ammonium CAS Name: [(2S)-1-oxo-1-[[5-[4-(2-pyrimidinyl)-1-piperazinyl]-2-pyridinyl]amino]propan-2-yl]ammonium IUPAC Name: [(2S)-1-oxo-1-[[5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-2-yl]amino]propan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-[[5-[4-(2-pyrimidyl)piperazino]-2-pyridyl]amino]ethyl]ammonium Formula: C16H22N7O+ MolecularWeight: 328.39218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)[NH3+]

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)[NH3+]

InChI

InChI=1S/C16H21N7O/c1-12(17)15(24)21-14-4-3-13(11-20-14)22-7-9-23(10-8-22)16-18-5-2-6-19-16/h2-6,11-12H,7-10,17H2,1H3,(H,20,21,24)/p+1/t12-/m0/s1