(1S,3R,3aR,6aS)-5-(3-chlorophenyl)-1-[(4-hydroxyphenyl)methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-1H-indole]-2',4,6-trione

Systemtic Name: (1S,3R,3aR,6aS)-5-(3-chlorophenyl)-1-[(4-hydroxyphenyl)methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-1H-indole]-2',4,6-trione Openeye Name: (1S,3R,3aR,6aS)-5-(3-chlorophenyl)-1-[(4-hydroxyphenyl)methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-indoline]-2',4,6-trione CAS Name: (1S,3R,3aR,6aS)-5-(3-chlorophenyl)-1-[(4-hydroxyphenyl)methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-1H-indole]-2',4,6-trione IUPAC Name: (1S,3R,3aR,6aS)-5-(3-chlorophenyl)-1-[(4-hydroxyphenyl)methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-1H-indole]-2',4,6-trione Traditional Name: (1S,3R,3aR,6aS)-5-(3-chlorophenyl)-1-(4-hydroxybenzyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-indoline]-2',4,6-trione Formula: C26H21ClN3O4+ MolecularWeight: 474.91564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3(C4C(C([NH2+]3)CC5=CC=C(C=C5)O)C(=O)N(C4=O)C6=CC(=CC=C6)Cl)C(=O)N2

Isomeric SMILES

C1=CC=C2C(=C1)[C@]3([C@H]4[C@@H]([C@@H]([NH2+]3)CC5=CC=C(C=C5)O)C(=O)N(C4=O)C6=CC(=CC=C6)Cl)C(=O)N2

InChI

InChI=1S/C26H20ClN3O4/c27-15-4-3-5-16(13-15)30-23(32)21-20(12-14-8-10-17(31)11-9-14)29-26(22(21)24(30)33)18-6-1-2-7-19(18)28-25(26)34/h1-11,13,20-22,29,31H,12H2,(H,28,34)/p+1/t20-,21+,22-,26-/m0/s1