3-[(1S,3R,3aR,6aS)-5-[2-chloranyl-5-(trifluoromethyl)phenyl]-2',4,6-tris(oxidanylidene)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-1H-indole]-1-yl]propanamide

Systemtic Name: 3-[(1S,3R,3aR,6aS)-5-[2-chloranyl-5-(trifluoromethyl)phenyl]-2',4,6-tris(oxidanylidene)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-1H-indole]-1-yl]propanamide Openeye Name: 3-[(1S,3R,3aR,6aS)-5-[2-chloro-5-(trifluoromethyl)phenyl]-2',4,6-trioxo-spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-indoline]-1-yl]propanamide CAS Name: 3-[(1S,3R,3aR,6aS)-5-[2-chloro-5-(trifluoromethyl)phenyl]-2',4,6-trioxo-1-spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-1H-indole]yl]propanamide IUPAC Name: 3-[(1S,3R,3aR,6aS)-5-[2-chloro-5-(trifluoromethyl)phenyl]-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-1H-indole]-1-yl]propanamide Traditional Name: 3-[(1S,3R,3aR,6aS)-5-[2-chloro-5-(trifluoromethyl)phenyl]-2',4,6-triketo-spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-indoline]-1-yl]propionamide Formula: C23H19ClF3N4O4+ MolecularWeight: 507.86957

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3(C4C(C([NH2+]3)CCC(=O)N)C(=O)N(C4=O)C5=C(C=CC(=C5)C(F)(F)F)Cl)C(=O)N2

Isomeric SMILES

C1=CC=C2C(=C1)[C@]3([C@H]4[C@@H]([C@@H]([NH2+]3)CCC(=O)N)C(=O)N(C4=O)C5=C(C=CC(=C5)C(F)(F)F)Cl)C(=O)N2

InChI

InChI=1S/C23H18ClF3N4O4/c24-12-6-5-10(23(25,26)27)9-15(12)31-19(33)17-14(7-8-16(28)32)30-22(18(17)20(31)34)11-3-1-2-4-13(11)29-21(22)35/h1-6,9,14,17-18,30H,7-8H2,(H2,28,32)(H,29,35)/p+1/t14-,17+,18-,22-/m0/s1