1-[(S)-1,3-benzodioxol-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine

Systemtic Name: 1-[(S)-1,3-benzodioxol-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine Openeye Name: 1-[(S)-1,3-benzodioxol-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine CAS Name: 1-[(S)-1,3-benzodioxol-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine IUPAC Name: 1-[(S)-1,3-benzodioxol-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine Traditional Name: 1-[(S)-1,3-benzodioxol-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine Formula: C19H19F3N2O2 MolecularWeight: 364.36157

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(C2=CC=C(C=C2)C(F)(F)F)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1)[C@@H](C2=CC=C(C=C2)C(F)(F)F)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19F3N2O2/c20-19(21,22)15-4-1-13(2-5-15)18(24-9-7-23-8-10-24)14-3-6-16-17(11-14)26-12-25-16/h1-6,11,18,23H,7-10,12H2/t18-/m0/s1