3-[(1S,3S,3aR,6aS)-5-[(4-fluorophenyl)methyl]-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,3S,3aR,6aS)-5-[(4-fluorophenyl)methyl]-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,3S,3aR,6aS)-5-[(4-fluorophenyl)methyl]-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,3S,3aR,6aS)-5-[(4-fluorophenyl)methyl]-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,3S,3aR,6aS)-5-[(4-fluorophenyl)methyl]-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,3S,3aR,6aS)-5-(4-fluorobenzyl)-2',4,6-triketo-spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-indoline]-1-yl]propionamide Formula: C23H22FN4O4+ MolecularWeight: 437.443583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3(C4C(C([NH2+]3)CCC(=O)N)C(=O)N(C4=O)CC5=CC=C(C=C5)F)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)CC5=CC=C(C=C5)F)C(=O)N2

InChI

InChI=1S/C23H21FN4O4/c24-13-7-5-12(6-8-13)11-28-20(30)18-16(9-10-17(25)29)27-23(19(18)21(28)31)14-3-1-2-4-15(14)26-22(23)32/h1-8,16,18-19,27H,9-11H2,(H2,25,29)(H,26,32)/p+1/t16-,18+,19-,23+/m0/s1