2-[(1S,3R,3aR,6aS)-6'-chloranyl-5-cyclohexyl-7'-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)-6'-chloranyl-5-cyclohexyl-7'-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)-6'-chloro-5-cyclohexyl-7'-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)-6'-chloro-5-cyclohexyl-7'-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)-6'-chloro-5-cyclohexyl-7'-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)-6'-chloro-5-cyclohexyl-2',4,6-triketo-7'-methyl-spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-indoline]-1-yl]acetamide Formula: C22H26ClN4O4+ MolecularWeight: 445.91924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1NC(=O)C23C4C(C([NH2+]3)CC(=O)N)C(=O)N(C4=O)C5CCCCC5)Cl

Isomeric SMILES

CC1=C(C=CC2=C1NC(=O)[C@@]23[C@H]4[C@@H]([C@@H]([NH2+]3)CC(=O)N)C(=O)N(C4=O)C5CCCCC5)Cl

InChI

InChI=1S/C22H25ClN4O4/c1-10-13(23)8-7-12-18(10)25-21(31)22(12)17-16(14(26-22)9-15(24)28)19(29)27(20(17)30)11-5-3-2-4-6-11/h7-8,11,14,16-17,26H,2-6,9H2,1H3,(H2,24,28)(H,25,31)/p+1/t14-,16+,17-,22-/m0/s1