1-(5-methyl-2-propan-2-yl-phenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol dichloride

Systemtic Name: 1-(5-methyl-2-propan-2-yl-phenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol dichloride Openeye Name: 1-(2-isopropyl-5-methyl-phenoxy)-3-[4-(2-pyridyl)piperazin-1-yl]propan-2-ol dichloride CAS Name: 1-(5-methyl-2-propan-2-ylphenoxy)-3-[4-(2-pyridinyl)-1-piperazinyl]-2-propanol dichloride IUPAC Name: 1-(5-methyl-2-propan-2-ylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol dichloride Traditional Name: 1-(2-isopropyl-5-methyl-phenoxy)-3-[4-(2-pyridyl)piperazino]propan-2-ol dichloride Formula: C22H31Cl2N3O2-2 MolecularWeight: 440.40644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(CN2CCN(CC2)C3=CC=CC=N3)O.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(CN2CCN(CC2)C3=CC=CC=N3)O.[Cl-].[Cl-]

InChI

InChI=1S/C22H31N3O2.2ClH/c1-17(2)20-8-7-18(3)14-21(20)27-16-19(26)15-24-10-12-25(13-11-24)22-6-4-5-9-23-22;;/h4-9,14,17,19,26H,10-13,15-16H2,1-3H3;2*1H/p-2