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

Systemtic Name: 4-[[4,5-bis(oxidanylidene)-2-pyridin-1-ium-4-yl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-oxidanyl-methyl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 4-[[4,5-dioxo-2-pyridin-1-ium-4-yl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxy-methyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 4-[[4,5-dioxo-2-(4-pyridin-1-iumyl)-1-(3-pyridin-1-iumylmethyl)-3-pyrrolidinylidene]-hydroxymethyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 4-[[4,5-dioxo-2-pyridin-1-ium-4-yl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 4-[[4,5-diketo-2-pyridin-1-ium-4-yl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxy-methyl]-N,N-dimethyl-benzenesulfonamide Formula: C24H24N4O5S+2 MolecularWeight: 480.53616

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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=[NH+]C=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=[NH+]C=C4)O

InChI

InChI=1S/C24H22N4O5S/c1-27(2)34(32,33)19-7-5-18(6-8-19)22(29)20-21(17-9-12-25-13-10-17)28(24(31)23(20)30)15-16-4-3-11-26-14-16/h3-14,21,29H,15H2,1-2H3/p+2