(2S)-1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-phenoxy-3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-phenoxy-3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=CC=C2)O)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC2=CC=CC=C2)O)C3=NC=CC=N3

InChI

InChI=1S/C17H22N4O2/c22-15(14-23-16-5-2-1-3-6-16)13-20-9-11-21(12-10-20)17-18-7-4-8-19-17/h1-8,15,22H,9-14H2/p+1/t15-/m0/s1