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

Systemtic Name: 3-[4-[(4-chlorophenyl)-oxidanyl-methylidene]-2,3-bis(oxidanylidene)-5-pyridin-1-ium-3-yl-pyrrolidin-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[4-[(4-chlorophenyl)-hydroxy-methylene]-2,3-dioxo-5-pyridin-1-ium-3-yl-pyrrolidin-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[4-[(4-chlorophenyl)-hydroxymethylidene]-2,3-dioxo-5-(3-pyridin-1-iumyl)-1-pyrrolidinyl]propyl-dimethylammonium IUPAC Name: 3-[4-[(4-chlorophenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-1-ium-3-ylpyrrolidin-1-yl]propyl-dimethylazanium Traditional Name: 3-[4-[(4-chlorophenyl)-hydroxy-methylene]-2,3-diketo-5-pyridin-1-ium-3-yl-pyrrolidino]propyl-dimethyl-ammonium Formula: C21H24ClN3O3+2 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O3/c1-24(2)11-4-12-25-18(15-5-3-10-23-13-15)17(20(27)21(25)28)19(26)14-6-8-16(22)9-7-14/h3,5-10,13,18,26H,4,11-12H2,1-2H3/p+2