1-butyl-4-[4-nitro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]piperazine hydrochloride

Systemtic Name: 1-butyl-4-[4-nitro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]piperazine hydrochloride Openeye Name: 1-butyl-4-[4-nitro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]piperazine hydrochloride CAS Name: 1-butyl-4-[4-nitro-2-(3,3,5,5-tetramethyl-1-cyclohexenyl)phenyl]piperazine hydrochloride IUPAC Name: 1-butyl-4-[4-nitro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]piperazine hydrochloride Traditional Name: 1-butyl-4-[4-nitro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]piperazine hydrochloride Formula: C24H38ClN3O2 MolecularWeight: 436.03042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C3=CC(CC(C3)(C)C)(C)C.Cl

Isomeric SMILES

CCCCN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C3=CC(CC(C3)(C)C)(C)C.Cl

InChI

InChI=1S/C24H37N3O2.ClH/c1-6-7-10-25-11-13-26(14-12-25)22-9-8-20(27(28)29)15-21(22)19-16-23(2,3)18-24(4,5)17-19;/h8-9,15-16H,6-7,10-14,17-18H2,1-5H3;1H