4-[[4,5-bis(oxidanylidene)-2-phenyl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-oxidanyl-methyl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 4-[[4,5-bis(oxidanylidene)-2-phenyl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-oxidanyl-methyl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 4-[[4,5-dioxo-2-phenyl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxy-methyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 4-[[4,5-dioxo-2-phenyl-1-(3-pyridin-1-iumylmethyl)-3-pyrrolidinylidene]-hydroxymethyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 4-[[4,5-dioxo-2-phenyl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 4-[[4,5-diketo-2-phenyl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxy-methyl]-N,N-dimethyl-benzenesulfonamide Formula: C25H24N3O5S+ MolecularWeight: 478.54016

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C25H23N3O5S/c1-27(2)34(32,33)20-12-10-19(11-13-20)23(29)21-22(18-8-4-3-5-9-18)28(25(31)24(21)30)16-17-7-6-14-26-15-17/h3-15,22,29H,16H2,1-2H3/p+1