2-[(1S,3R,3aR,6aS)-6',7'-dimethyl-2',4,6-tris(oxidanylidene)-5-(phenylmethyl)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',7'-dimethyl-2',4,6-tris(oxidanylidene)-5-(phenylmethyl)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-benzyl-6',7'-dimethyl-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',7'-dimethyl-2',4,6-trioxo-5-(phenylmethyl)-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-benzyl-6',7'-dimethyl-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-benzyl-2',4,6-triketo-6',7'-dimethyl-spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-indoline]-1-yl]acetamide Formula: C24H25N4O4+ MolecularWeight: 433.4797

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C3(C4C(C([NH2+]3)CC(=O)N)C(=O)N(C4=O)CC5=CC=CC=C5)C(=O)N2)C

Isomeric SMILES

CC1=C(C2=C(C=C1)[C@]3([C@H]4[C@@H]([C@@H]([NH2+]3)CC(=O)N)C(=O)N(C4=O)CC5=CC=CC=C5)C(=O)N2)C

InChI

InChI=1S/C24H24N4O4/c1-12-8-9-15-20(13(12)2)26-23(32)24(15)19-18(16(27-24)10-17(25)29)21(30)28(22(19)31)11-14-6-4-3-5-7-14/h3-9,16,18-19,27H,10-11H2,1-2H3,(H2,25,29)(H,26,32)/p+1/t16-,18+,19-,24-/m0/s1