ethanoic acid; (3S)-3-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)pyridin-2-yl]piperazine

Systemtic Name: ethanoic acid; (3S)-3-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)pyridin-2-yl]piperazine Openeye Name: acetic acid; (3S)-1-[6-benzyloxy-5-(trifluoromethyl)-2-pyridyl]-3-methyl-piperazine CAS Name: acetic acid; (3S)-3-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine IUPAC Name: acetic acid; (3S)-3-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)pyridin-2-yl]piperazine Traditional Name: acetic acid; (3S)-1-[6-benzoxy-5-(trifluoromethyl)-2-pyridyl]-3-methyl-piperazine Formula: C20H24F3N3O3 MolecularWeight: 411.41807

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=NC(=C(C=C2)C(F)(F)F)OCC3=CC=CC=C3.CC(=O)O

Isomeric SMILES

C[C@H]1CN(CCN1)C2=NC(=C(C=C2)C(F)(F)F)OCC3=CC=CC=C3.CC(=O)O

InChI

InChI=1S/C18H20F3N3O.C2H4O2/c1-13-11-24(10-9-22-13)16-8-7-15(18(19,20)21)17(23-16)25-12-14-5-3-2-4-6-14;1-2(3)4/h2-8,13,22H,9-12H2,1H3;1H3,(H,3,4)/t13-;/m0./s1