10-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]-2-(trifluoromethyl)phenothiazine; ethanedioic acid

Systemtic Name: 10-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]-2-(trifluoromethyl)phenothiazine; ethanedioic acid Openeye Name: 10-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]-2-(trifluoromethyl)phenothiazine; oxalic acid CAS Name: 10-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]-2-(trifluoromethyl)phenothiazine; oxalic acid IUPAC Name: 10-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]-2-(trifluoromethyl)phenothiazine; oxalic acid Traditional Name: 10-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]-2-(trifluoromethyl)phenothiazine; oxalic acid Formula: C28H32F3N3O8S MolecularWeight: 627.62919

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN2CCN(CC2C1)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)C(F)(F)F.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN2CCN(CC2C1)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)C(F)(F)F.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H28F3N3S.2C2H2O4/c25-24(26,27)18-9-10-23-21(16-18)30(20-7-1-2-8-22(20)31-23)13-5-11-28-14-15-29-12-4-3-6-19(29)17-28;2*3-1(4)2(5)6/h1-2,7-10,16,19H,3-6,11-15,17H2;2*(H,3,4)(H,5,6)