3-[(1S,3R,3aR,6aS)-7'-chloranyl-5'-methyl-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]propanoate

Systemtic Name: 3-[(1S,3R,3aR,6aS)-7'-chloranyl-5'-methyl-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]propanoate Openeye Name: 3-[(1S,3R,3aR,6aS)-5-benzyl-7'-chloro-5'-methyl-2',4,6-trioxo-spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-indoline]-1-yl]propanoate CAS Name: 3-[(1S,3R,3aR,6aS)-7'-chloro-5'-methyl-2',4,6-trioxo-5-(phenylmethyl)-1-spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-1H-indole]yl]propanoate IUPAC Name: 3-[(1S,3R,3aR,6aS)-5-benzyl-7'-chloro-5'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-1H-indole]-1-yl]propanoate Traditional Name: 3-[(1S,3R,3aR,6aS)-5-benzyl-7'-chloro-2',4,6-triketo-5'-methyl-spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-indoline]-1-yl]propionate Formula: C24H22ClN3O5 MolecularWeight: 467.90158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C3(C4C(C([NH2+]3)CCC(=O)[O-])C(=O)N(C4=O)CC5=CC=CC=C5)C(=O)N2)Cl

Isomeric SMILES

CC1=CC(=C2C(=C1)[C@]3([C@H]4[C@@H]([C@@H]([NH2+]3)CCC(=O)[O-])C(=O)N(C4=O)CC5=CC=CC=C5)C(=O)N2)Cl

InChI

InChI=1S/C24H22ClN3O5/c1-12-9-14-20(15(25)10-12)26-23(33)24(14)19-18(16(27-24)7-8-17(29)30)21(31)28(22(19)32)11-13-5-3-2-4-6-13/h2-6,9-10,16,18-19,27H,7-8,11H2,1H3,(H,26,33)(H,29,30)/t16-,18+,19-,24-/m0/s1