3-[(2R,3E)-2-(4-hydroxyphenyl)-3-[(4-methoxy-3-methyl-phenyl)-oxidanyl-methylidene]-4,5-bis(oxidanylidene)pyrrolidin-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(2R,3E)-2-(4-hydroxyphenyl)-3-[(4-methoxy-3-methyl-phenyl)-oxidanyl-methylidene]-4,5-bis(oxidanylidene)pyrrolidin-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2R,3E)-3-[hydroxy-(4-methoxy-3-methyl-phenyl)methylene]-2-(4-hydroxyphenyl)-4,5-dioxo-pyrrolidin-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2R,3E)-3-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-2-(4-hydroxyphenyl)-4,5-dioxo-1-pyrrolidinyl]propyl-dimethylammonium IUPAC Name: 3-[(2R,3E)-3-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-2-(4-hydroxyphenyl)-4,5-dioxopyrrolidin-1-yl]propyl-dimethylazanium Traditional Name: 3-[(2R,3E)-3-[hydroxy-(4-methoxy-3-methyl-phenyl)methylene]-2-(4-hydroxyphenyl)-4,5-diketo-pyrrolidino]propyl-dimethyl-ammonium Formula: C24H29N2O5+ MolecularWeight: 425.49746

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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)O)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)/C(=C\2/[C@H](N(C(=O)C2=O)CCC[NH+](C)C)C3=CC=C(C=C3)O)/O)OC

InChI

InChI=1S/C24H28N2O5/c1-15-14-17(8-11-19(15)31-4)22(28)20-21(16-6-9-18(27)10-7-16)26(24(30)23(20)29)13-5-12-25(2)3/h6-11,14,21,27-28H,5,12-13H2,1-4H3/p+1/b22-20+/t21-/m1/s1