3-[(2R)-2-(4-chlorophenyl)-3-[(3-methyl-4-propan-2-yloxy-phenyl)-oxidanyl-methylidene]-4,5-bis(oxidanylidene)pyrrolidin-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(2R)-2-(4-chlorophenyl)-3-[(3-methyl-4-propan-2-yloxy-phenyl)-oxidanyl-methylidene]-4,5-bis(oxidanylidene)pyrrolidin-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2R)-2-(4-chlorophenyl)-3-[hydroxy-(4-isopropoxy-3-methyl-phenyl)methylene]-4,5-dioxo-pyrrolidin-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2R)-2-(4-chlorophenyl)-3-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-4,5-dioxo-1-pyrrolidinyl]propyl-dimethylammonium IUPAC Name: 3-[(2R)-2-(4-chlorophenyl)-3-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]propyl-dimethylazanium Traditional Name: 3-[(2R)-2-(4-chlorophenyl)-3-[hydroxy-(4-isopropoxy-3-methyl-phenyl)methylene]-4,5-diketo-pyrrolidino]propyl-dimethyl-ammonium Formula: C26H32ClN2O4+ MolecularWeight: 471.99628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC[NH+](C)C)C3=CC=C(C=C3)Cl)O)OC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=C2[C@H](N(C(=O)C2=O)CCC[NH+](C)C)C3=CC=C(C=C3)Cl)O)OC(C)C

InChI

InChI=1S/C26H31ClN2O4/c1-16(2)33-21-12-9-19(15-17(21)3)24(30)22-23(18-7-10-20(27)11-8-18)29(26(32)25(22)31)14-6-13-28(4)5/h7-12,15-16,23,30H,6,13-14H2,1-5H3/p+1/t23-/m1/s1