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

Systemtic Name: 2-[4-[(3-chloranyl-4-methoxy-phenyl)-oxidanyl-methylidene]-2,3-bis(oxidanylidene)-5-pyridin-1-ium-3-yl-pyrrolidin-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[4-[(3-chloro-4-methoxy-phenyl)-hydroxy-methylene]-2,3-dioxo-5-pyridin-1-ium-3-yl-pyrrolidin-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-2,3-dioxo-5-(3-pyridin-1-iumyl)-1-pyrrolidinyl]ethyl-dimethylammonium IUPAC Name: 2-[4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-1-ium-3-ylpyrrolidin-1-yl]ethyl-dimethylazanium Traditional Name: 2-[4-[(3-chloro-4-methoxy-phenyl)-hydroxy-methylene]-2,3-diketo-5-pyridin-1-ium-3-yl-pyrrolidino]ethyl-dimethyl-ammonium Formula: C21H24ClN3O4+2 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O4/c1-24(2)9-10-25-18(14-5-4-8-23-12-14)17(20(27)21(25)28)19(26)13-6-7-16(29-3)15(22)11-13/h4-8,11-12,18,26H,9-10H2,1-3H3/p+2