2-[(2S)-2-(4-ethoxyphenyl)-3-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-oxidanyl-methylidene]-4,5-bis(oxidanylidene)pyrrolidin-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[(2S)-2-(4-ethoxyphenyl)-3-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-oxidanyl-methylidene]-4,5-bis(oxidanylidene)pyrrolidin-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[(2S)-2-(4-ethoxyphenyl)-3-[hydroxy-[(2R)-2-methyl-2,3-dihydrobenzofuran-5-yl]methylene]-4,5-dioxo-pyrrolidin-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[(2S)-2-(4-ethoxyphenyl)-3-[hydroxy-[(2R)-2-methyl-2,3-dihydrobenzofuran-5-yl]methylidene]-4,5-dioxo-1-pyrrolidinyl]ethyl-diethylammonium IUPAC Name: 2-[(2S)-2-(4-ethoxyphenyl)-3-[hydroxy-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methylidene]-4,5-dioxopyrrolidin-1-yl]ethyl-diethylazanium Traditional Name: diethyl-[2-[(5S)-4-[hydroxy-[(2R)-2-methylcoumaran-5-yl]methylene]-2,3-diketo-5-p-phenetyl-pyrrolidino]ethyl]ammonium Formula: C28H35N2O5+ MolecularWeight: 479.5879

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(C(=C(C2=CC3=C(C=C2)OC(C3)C)O)C(=O)C1=O)C4=CC=C(C=C4)OCC

Isomeric SMILES

CC[NH+](CC)CCN1[C@H](C(=C(C2=CC3=C(C=C2)O[C@@H](C3)C)O)C(=O)C1=O)C4=CC=C(C=C4)OCC

InChI

InChI=1S/C28H34N2O5/c1-5-29(6-2)14-15-30-25(19-8-11-22(12-9-19)34-7-3)24(27(32)28(30)33)26(31)20-10-13-23-21(17-20)16-18(4)35-23/h8-13,17-18,25,31H,5-7,14-16H2,1-4H3/p+1/t18-,25+/m1/s1