1-(2,6-dimethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: 1-(2,6-dimethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: 1-(2,6-dimethylphenoxy)-3-[4-(2-pyridyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: 1-(2,6-dimethylphenoxy)-3-[4-(2-pyridinyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: 1-(2,6-dimethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: 1-(2,6-dimethylphenoxy)-3-[4-(2-pyridyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C20H28N3O2+ MolecularWeight: 342.45522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(C[NH+]2CCN(CC2)C3=CC=CC=N3)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(C[NH+]2CCN(CC2)C3=CC=CC=N3)O

InChI

InChI=1S/C20H27N3O2/c1-16-6-5-7-17(2)20(16)25-15-18(24)14-22-10-12-23(13-11-22)19-8-3-4-9-21-19/h3-9,18,24H,10-15H2,1-2H3/p+1