1-butyl-4-[6-(3,3,5,5-tetramethylcyclohexyl)-1,3-benzodioxol-5-yl]piperazine hydrochloride

Systemtic Name: 1-butyl-4-[6-(3,3,5,5-tetramethylcyclohexyl)-1,3-benzodioxol-5-yl]piperazine hydrochloride Openeye Name: 1-butyl-4-[6-(3,3,5,5-tetramethylcyclohexyl)-1,3-benzodioxol-5-yl]piperazine hydrochloride CAS Name: 1-butyl-4-[6-(3,3,5,5-tetramethylcyclohexyl)-1,3-benzodioxol-5-yl]piperazine hydrochloride IUPAC Name: 1-butyl-4-[6-(3,3,5,5-tetramethylcyclohexyl)-1,3-benzodioxol-5-yl]piperazine hydrochloride Traditional Name: 1-butyl-4-[6-(3,3,5,5-tetramethylcyclohexyl)-1,3-benzodioxol-5-yl]piperazine hydrochloride Formula: C25H41ClN2O2 MolecularWeight: 437.05824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=CC3=C(C=C2C4CC(CC(C4)(C)C)(C)C)OCO3.Cl

Isomeric SMILES

CCCCN1CCN(CC1)C2=CC3=C(C=C2C4CC(CC(C4)(C)C)(C)C)OCO3.Cl

InChI

InChI=1S/C25H40N2O2.ClH/c1-6-7-8-26-9-11-27(12-10-26)21-14-23-22(28-18-29-23)13-20(21)19-15-24(2,3)17-25(4,5)16-19;/h13-14,19H,6-12,15-18H2,1-5H3;1H