2-[(1S,3R,3aR,6aS)-6'-chloranyl-5-[2-(3,4-dimethoxyphenyl)ethyl]-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-[2-(3,4-dimethoxyphenyl)ethyl]-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-[2-(3,4-dimethoxyphenyl)ethyl]-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-[2-(3,4-dimethoxyphenyl)ethyl]-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-[2-(3,4-dimethoxyphenyl)ethyl]-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-homoveratryl-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: C26H28ClN4O6+ MolecularWeight: 527.97672

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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)CCC5=CC(=C(C=C5)OC)OC)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)CCC5=CC(=C(C=C5)OC)OC)Cl

InChI

InChI=1S/C26H27ClN4O6/c1-12-15(27)6-5-14-22(12)29-25(35)26(14)21-20(16(30-26)11-19(28)32)23(33)31(24(21)34)9-8-13-4-7-17(36-2)18(10-13)37-3/h4-7,10,16,20-21,30H,8-9,11H2,1-3H3,(H2,28,32)(H,29,35)/p+1/t16-,20+,21-,26-/m0/s1