[(2S)-1-oxidanylidene-3-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]azanium

Systemtic Name: [(2S)-1-oxidanylidene-3-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [(2S)-1-oxo-3-phenyl-1-[4-(2-pyrimidinyl)-1-piperazinyl]propan-2-yl]ammonium IUPAC Name: [(2S)-1-oxo-3-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]ammonium Formula: C17H22N5O+ MolecularWeight: 312.38948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C(CC3=CC=CC=C3)[NH3+]

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)[C@H](CC3=CC=CC=C3)[NH3+]

InChI

InChI=1S/C17H21N5O/c18-15(13-14-5-2-1-3-6-14)16(23)21-9-11-22(12-10-21)17-19-7-4-8-20-17/h1-8,15H,9-13,18H2/p+1/t15-/m0/s1