(2R)-1-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2R)-1-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2R)-1-(4-chloro-2-isopropyl-5-methyl-phenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2R)-1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2R)-1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2R)-1-(4-chloro-2-isopropyl-5-methyl-phenoxy)-3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C21H30ClN4O2+ MolecularWeight: 405.9415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OCC(C[NH+]2CCN(CC2)C3=NC=CC=N3)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OC[C@@H](C[NH+]2CCN(CC2)C3=NC=CC=N3)O

InChI

InChI=1S/C21H29ClN4O2/c1-15(2)18-12-19(22)16(3)11-20(18)28-14-17(27)13-25-7-9-26(10-8-25)21-23-5-4-6-24-21/h4-6,11-12,15,17,27H,7-10,13-14H2,1-3H3/p+1/t17-/m1/s1