1-(4-phenylpiperazin-1-ium-1-yl)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol chloride

Systemtic Name: 1-(4-phenylpiperazin-1-ium-1-yl)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol chloride Openeye Name: 1-(4-phenylpiperazin-1-ium-1-yl)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol chloride CAS Name: 1-(4-phenyl-1-piperazin-1-iumyl)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-2-propanol chloride IUPAC Name: 1-(4-phenylpiperazin-1-ium-1-yl)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol chloride Traditional Name: 1-(4-phenylpiperazin-1-ium-1-yl)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol chloride Formula: C25H31ClN2O3 MolecularWeight: 442.97824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(O2)C=CC(=C3)OCC(C[NH+]4CCN(CC4)C5=CC=CC=C5)O.[Cl-]

Isomeric SMILES

C1CCC2=C(C1)C3=C(O2)C=CC(=C3)OCC(C[NH+]4CCN(CC4)C5=CC=CC=C5)O.[Cl-]

InChI

InChI=1S/C25H30N2O3.ClH/c28-20(17-26-12-14-27(15-13-26)19-6-2-1-3-7-19)18-29-21-10-11-25-23(16-21)22-8-4-5-9-24(22)30-25;/h1-3,6-7,10-11,16,20,28H,4-5,8-9,12-15,17-18H2;1H