(8aR)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

Systemtic Name: (8aR)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione Openeye Name: (8aR)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione CAS Name: (8aR)-2-[4-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione IUPAC Name: (8aR)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione Traditional Name: (8aR)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-quinone Formula: C22H30F3N4O2+ MolecularWeight: 439.49441

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=O)N(CC(=O)N2C1)CCCC[NH+]3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1C[C@@H]2C(=O)N(CC(=O)N2C1)CCCC[NH+]3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C22H29F3N4O2/c23-22(24,25)17-5-3-6-18(15-17)27-13-11-26(12-14-27)8-1-2-9-28-16-20(30)29-10-4-7-19(29)21(28)31/h3,5-6,15,19H,1-2,4,7-14,16H2/p+1/t19-/m1/s1