1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol hydrochloride

Systemtic Name: 1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol hydrochloride Openeye Name: 1-[4-(2-pyridyl)piperazin-1-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol hydrochloride CAS Name: 1-[4-(2-pyridinyl)-1-piperazinyl]-3-(2,4,6-trimethylphenoxy)-2-propanol hydrochloride IUPAC Name: 1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol hydrochloride Traditional Name: 1-[4-(2-pyridyl)piperazino]-3-(2,4,6-trimethylphenoxy)propan-2-ol hydrochloride Formula: C21H30ClN3O2 MolecularWeight: 391.9348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2.ClH/c1-16-12-17(2)21(18(3)13-16)26-15-19(25)14-23-8-10-24(11-9-23)20-6-4-5-7-22-20;/h4-7,12-13,19,25H,8-11,14-15H2,1-3H3;1H