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

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

Isomeric SMILES

C[NH+](C)CCCN1C(C(=C(C2=CC=C(C=C2)Cl)O)C(=O)C1=O)C3=CC=CC=[NH+]3

InChI

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