3-[(1S,3R,3aR,6aS)-5'-chloranyl-5-[(2-chlorophenyl)methyl]-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]propanoate

Systemtic Name: 3-[(1S,3R,3aR,6aS)-5'-chloranyl-5-[(2-chlorophenyl)methyl]-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]propanoate Openeye Name: 3-[(1S,3R,3aR,6aS)-5'-chloro-5-[(2-chlorophenyl)methyl]-7'-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)-5'-chloro-5-[(2-chlorophenyl)methyl]-7'-methyl-2',4,6-trioxo-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'-chloro-5-[(2-chlorophenyl)methyl]-7'-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'-chloro-5-(2-chlorobenzyl)-2',4,6-triketo-7'-methyl-spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-indoline]-1-yl]propionate Formula: C24H21Cl2N3O5 MolecularWeight: 502.34664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Cl)C3(C4C(C([NH2+]3)CCC(=O)[O-])C(=O)N(C4=O)CC5=CC=CC=C5Cl)C(=O)N2

Isomeric SMILES

CC1=C2C(=CC(=C1)Cl)[C@]3([C@H]4[C@@H]([C@@H]([NH2+]3)CCC(=O)[O-])C(=O)N(C4=O)CC5=CC=CC=C5Cl)C(=O)N2

InChI

InChI=1S/C24H21Cl2N3O5/c1-11-8-13(25)9-14-20(11)27-23(34)24(14)19-18(16(28-24)6-7-17(30)31)21(32)29(22(19)33)10-12-4-2-3-5-15(12)26/h2-5,8-9,16,18-19,28H,6-7,10H2,1H3,(H,27,34)(H,30,31)/t16-,18+,19-,24-/m0/s1