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

Systemtic Name: (2S)-1-(3-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(3-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(3-methoxyphenoxy)-3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(3-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(3-methoxyphenoxy)-3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C18H25N4O3+ MolecularWeight: 345.4161

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC(C[NH+]2CCN(CC2)C3=NC=CC=N3)O

Isomeric SMILES

COC1=CC(=CC=C1)OC[C@H](C[NH+]2CCN(CC2)C3=NC=CC=N3)O

InChI

InChI=1S/C18H24N4O3/c1-24-16-4-2-5-17(12-16)25-14-15(23)13-21-8-10-22(11-9-21)18-19-6-3-7-20-18/h2-7,12,15,23H,8-11,13-14H2,1H3/p+1/t15-/m0/s1