(4aR)-9-[2,4-bis(fluoranyl)phenyl]-1,2,3,4,4a,6-hexahydropyrazino[2,1-c][1,4]benzodiazepin-3-ium-5,11-dione

Systemtic Name: (4aR)-9-[2,4-bis(fluoranyl)phenyl]-1,2,3,4,4a,6-hexahydropyrazino[2,1-c][1,4]benzodiazepin-3-ium-5,11-dione Openeye Name: (4aR)-9-(2,4-difluorophenyl)-1,2,3,4,4a,6-hexahydropyrazino[2,1-c][1,4]benzodiazepin-3-ium-5,11-dione CAS Name: (4aR)-9-(2,4-difluorophenyl)-1,2,3,4,4a,6-hexahydropyrazino[2,1-c][1,4]benzodiazepin-3-ium-5,11-dione IUPAC Name: (4aR)-9-(2,4-difluorophenyl)-1,2,3,4,4a,6-hexahydropyrazino[2,1-c][1,4]benzodiazepin-3-ium-5,11-dione Traditional Name: (4aR)-9-(2,4-difluorophenyl)-1,2,3,4,4a,6-hexahydropyrazino[2,1-c][1,4]benzodiazepin-3-ium-5,11-quinone Formula: C18H16F2N3O2+ MolecularWeight: 344.335346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(C[NH2+]1)C(=O)NC3=C(C2=O)C=C(C=C3)C4=C(C=C(C=C4)F)F

Isomeric SMILES

C1CN2[C@H](C[NH2+]1)C(=O)NC3=C(C2=O)C=C(C=C3)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C18H15F2N3O2/c19-11-2-3-12(14(20)8-11)10-1-4-15-13(7-10)18(25)23-6-5-21-9-16(23)17(24)22-15/h1-4,7-8,16,21H,5-6,9H2,(H,22,24)/p+1/t16-/m1/s1