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

Systemtic Name: 2-[4-[(3-methoxyphenyl)-oxidanyl-methylidene]-2,3-bis(oxidanylidene)-5-pyridin-1-ium-4-yl-pyrrolidin-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[4-[hydroxy-(3-methoxyphenyl)methylene]-2,3-dioxo-5-pyridin-1-ium-4-yl-pyrrolidin-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[4-[hydroxy-(3-methoxyphenyl)methylidene]-2,3-dioxo-5-(4-pyridin-1-iumyl)-1-pyrrolidinyl]ethyl-dimethylammonium IUPAC Name: 2-[4-[hydroxy-(3-methoxyphenyl)methylidene]-2,3-dioxo-5-pyridin-1-ium-4-ylpyrrolidin-1-yl]ethyl-dimethylazanium Traditional Name: 2-[4-[hydroxy-(3-methoxyphenyl)methylene]-2,3-diketo-5-pyridin-1-ium-4-yl-pyrrolidino]ethyl-dimethyl-ammonium Formula: C21H25N3O4+2 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c1-23(2)11-12-24-18(14-7-9-22-10-8-14)17(20(26)21(24)27)19(25)15-5-4-6-16(13-15)28-3/h4-10,13,18,25H,11-12H2,1-3H3/p+2