2-[(1S,3R,3aR,6aS)-5-cyclohexyl-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)-5-cyclohexyl-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)-5-cyclohexyl-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)-5-cyclohexyl-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)-5-cyclohexyl-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)-5-cyclohexyl-2',4,6-triketo-spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-indoline]-1-yl]acetamide Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3C([NH2+]C4(C3C2=O)C5=CC=CC=C5NC4=O)CC(=O)N

Isomeric SMILES

C1CCC(CC1)N2C(=O)[C@@H]3[C@@H]([NH2+][C@]4([C@@H]3C2=O)C5=CC=CC=C5NC4=O)CC(=O)N

InChI

InChI=1S/C21H24N4O4/c22-15(26)10-14-16-17(19(28)25(18(16)27)11-6-2-1-3-7-11)21(24-14)12-8-4-5-9-13(12)23-20(21)29/h4-5,8-9,11,14,16-17,24H,1-3,6-7,10H2,(H2,22,26)(H,23,29)/p+1/t14-,16+,17-,21-/m0/s1