2-[(1S,3R,3aR,6aS)-7'-chloranyl-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]ethanamide

Systemtic Name: 2-[(1S,3R,3aR,6aS)-7'-chloranyl-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]ethanamide Openeye Name: 2-[(1S,3R,3aR,6aS)-7'-chloro-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]acetamide CAS Name: 2-[(1S,3R,3aR,6aS)-7'-chloro-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]acetamide IUPAC Name: 2-[(1S,3R,3aR,6aS)-7'-chloro-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]acetamide Traditional Name: 2-[(1S,3R,3aR,6aS)-7'-chloro-5-(4-fluorobenzyl)-2',4,6-triketo-spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-indoline]-1-yl]acetamide Formula: C22H19ClFN4O4+ MolecularWeight: 457.862063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Cl)NC(=O)C23C4C(C([NH2+]3)CC(=O)N)C(=O)N(C4=O)CC5=CC=C(C=C5)F

Isomeric SMILES

C1=CC2=C(C(=C1)Cl)NC(=O)[C@@]23[C@H]4[C@@H]([C@@H]([NH2+]3)CC(=O)N)C(=O)N(C4=O)CC5=CC=C(C=C5)F

InChI

InChI=1S/C22H18ClFN4O4/c23-13-3-1-2-12-18(13)26-21(32)22(12)17-16(14(27-22)8-15(25)29)19(30)28(20(17)31)9-10-4-6-11(24)7-5-10/h1-7,14,16-17,27H,8-9H2,(H2,25,29)(H,26,32)/p+1/t14-,16+,17-,22-/m0/s1