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

Systemtic Name: [(2S)-1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [(2S)-1-phenyl-3-[4-(2-pyrimidinyl)-1-piperazinyl]propan-2-yl]ammonium IUPAC Name: [(2S)-1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[4-(2-pyrimidyl)piperazino]ethyl]ammonium Formula: C17H24N5+ MolecularWeight: 298.40596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CC2=CC=CC=C2)[NH3+])C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1C[C@H](CC2=CC=CC=C2)[NH3+])C3=NC=CC=N3

InChI

InChI=1S/C17H23N5/c18-16(13-15-5-2-1-3-6-15)14-21-9-11-22(12-10-21)17-19-7-4-8-20-17/h1-8,16H,9-14,18H2/p+1/t16-/m0/s1