1-[2,6-bis[3-(4-methylpiperazin-1-yl)-2-oxidanyl-propoxy]phenyl]ethanone chloride

Systemtic Name: 1-[2,6-bis[3-(4-methylpiperazin-1-yl)-2-oxidanyl-propoxy]phenyl]ethanone chloride Openeye Name: 1-[2,6-bis[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone chloride CAS Name: 1-[2,6-bis[2-hydroxy-3-(4-methyl-1-piperazinyl)propoxy]phenyl]ethanone chloride IUPAC Name: 1-[2,6-bis[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone chloride Traditional Name: 1-[2,6-bis[2-hydroxy-3-(4-methylpiperazino)propoxy]phenyl]ethanone chloride Formula: C24H40ClN4O5- MolecularWeight: 500.0512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC=C1OCC(CN2CCN(CC2)C)O)OCC(CN3CCN(CC3)C)O.[Cl-]

Isomeric SMILES

CC(=O)C1=C(C=CC=C1OCC(CN2CCN(CC2)C)O)OCC(CN3CCN(CC3)C)O.[Cl-]

InChI

InChI=1S/C24H40N4O5.ClH/c1-19(29)24-22(32-17-20(30)15-27-11-7-25(2)8-12-27)5-4-6-23(24)33-18-21(31)16-28-13-9-26(3)10-14-28;/h4-6,20-21,30-31H,7-18H2,1-3H3;1H/p-1