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

Systemtic Name: (2S)-1-(4-phenoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(4-phenoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-phenoxyphenoxy)-3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-phenoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-phenoxyphenoxy)-3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=C(C=C2)OC3=CC=CC=C3)O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC2=CC=C(C=C2)OC3=CC=CC=C3)O)C4=NC=CC=N4

InChI

InChI=1S/C23H26N4O3/c28-19(17-26-13-15-27(16-14-26)23-24-11-4-12-25-23)18-29-20-7-9-22(10-8-20)30-21-5-2-1-3-6-21/h1-12,19,28H,13-18H2/p+1/t19-/m0/s1