3-[(2S)-2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-3-[(3,4-dimethoxyphenyl)-oxidanyl-methylidene]-4,5-bis(oxidanylidene)pyrrolidin-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(2S)-2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-3-[(3,4-dimethoxyphenyl)-oxidanyl-methylidene]-4,5-bis(oxidanylidene)pyrrolidin-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2S)-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-3-[(3,4-dimethoxyphenyl)-hydroxy-methylene]-4,5-dioxo-pyrrolidin-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2S)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-4,5-dioxo-1-pyrrolidinyl]propyl-dimethylammonium IUPAC Name: 3-[(2S)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]propyl-dimethylazanium Traditional Name: 3-[(2S)-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-3-[(3,4-dimethoxyphenyl)-hydroxy-methylene]-4,5-diketo-pyrrolidino]propyl-dimethyl-ammonium Formula: C25H30BrN2O7+ MolecularWeight: 550.4189

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(C(=C(C2=CC(=C(C=C2)OC)OC)O)C(=O)C1=O)C3=CC(=C(C(=C3)Br)O)OC

Isomeric SMILES

C[NH+](C)CCCN1[C@H](C(=C(C2=CC(=C(C=C2)OC)OC)O)C(=O)C1=O)C3=CC(=C(C(=C3)Br)O)OC

InChI

InChI=1S/C25H29BrN2O7/c1-27(2)9-6-10-28-21(15-11-16(26)23(30)19(13-15)35-5)20(24(31)25(28)32)22(29)14-7-8-17(33-3)18(12-14)34-4/h7-8,11-13,21,29-30H,6,9-10H2,1-5H3/p+1/t21-/m0/s1