5,5-dimethyl-2-[oxidanyl-[2-piperazin-1-ylethyl(propyl)amino]methyl]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[oxidanyl-[2-piperazin-1-ylethyl(propyl)amino]methyl]cyclohexane-1,3-dione Openeye Name: 2-[hydroxy-[2-piperazin-1-ylethyl(propyl)amino]methyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[hydroxy-[2-(1-piperazinyl)ethyl-propylamino]methyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[hydroxy-[2-piperazin-1-ylethyl(propyl)amino]methyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[hydroxy-[2-piperazinoethyl(propyl)amino]methyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C18H33N3O3 MolecularWeight: 339.47292

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCN1CCNCC1)C(C2C(=O)CC(CC2=O)(C)C)O

Isomeric SMILES

CCCN(CCN1CCNCC1)C(C2C(=O)CC(CC2=O)(C)C)O

InChI

InChI=1S/C18H33N3O3/c1-4-7-21(11-10-20-8-5-19-6-9-20)17(24)16-14(22)12-18(2,3)13-15(16)23/h16-17,19,24H,4-13H2,1-3H3