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

Systemtic Name: 3-[4-[(3-methoxyphenyl)-oxidanyl-methylidene]-2,3-bis(oxidanylidene)-5-pyridin-1-ium-4-yl-pyrrolidin-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[4-[hydroxy-(3-methoxyphenyl)methylene]-2,3-dioxo-5-pyridin-1-ium-4-yl-pyrrolidin-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[4-[hydroxy-(3-methoxyphenyl)methylidene]-2,3-dioxo-5-(4-pyridin-1-iumyl)-1-pyrrolidinyl]propyl-dimethylammonium IUPAC Name: 3-[4-[hydroxy-(3-methoxyphenyl)methylidene]-2,3-dioxo-5-pyridin-1-ium-4-ylpyrrolidin-1-yl]propyl-dimethylazanium Traditional Name: 3-[4-[hydroxy-(3-methoxyphenyl)methylene]-2,3-diketo-5-pyridin-1-ium-4-yl-pyrrolidino]propyl-dimethyl-ammonium Formula: C22H27N3O4+2 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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