3-[(5S)-4-[(4-methoxyphenyl)-oxidanyl-methylidene]-2,3-bis(oxidanylidene)-5-pyridin-3-yl-pyrrolidin-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(5S)-4-[(4-methoxyphenyl)-oxidanyl-methylidene]-2,3-bis(oxidanylidene)-5-pyridin-3-yl-pyrrolidin-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(5S)-4-[hydroxy-(4-methoxyphenyl)methylene]-2,3-dioxo-5-(3-pyridyl)pyrrolidin-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(5S)-4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-(3-pyridinyl)-1-pyrrolidinyl]propyl-dimethylammonium IUPAC Name: 3-[(5S)-4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-pyridin-3-ylpyrrolidin-1-yl]propyl-dimethylazanium Traditional Name: 3-[(5S)-4-[hydroxy-(4-methoxyphenyl)methylene]-2,3-diketo-5-(3-pyridyl)pyrrolidino]propyl-dimethyl-ammonium Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4/c1-24(2)12-5-13-25-19(16-6-4-11-23-14-16)18(21(27)22(25)28)20(26)15-7-9-17(29-3)10-8-15/h4,6-11,14,19,26H,5,12-13H2,1-3H3/p+1/t19-/m0/s1