3-[(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]propanamide

Systemtic Name: 3-[(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]propanamide Openeye Name: 3-[(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]propanamide CAS Name: 3-[(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]propanamide IUPAC Name: 3-[(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]propanamide Traditional Name: 3-[(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]propionamide Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H26N4O4/c23-16(27)11-10-15-17-18(20(29)26(19(17)28)12-6-2-1-3-7-12)22(25-15)13-8-4-5-9-14(13)24-21(22)30/h4-5,8-9,12,15,17-18,25H,1-3,6-7,10-11H2,(H2,23,27)(H,24,30)/p+1/t15-,17+,18-,22-/m0/s1