2-azanyl-1,3-bis[[3-chloranyl-4-[dimethyl(sulfinato)azaniumyl]phenoxy]methyl]benzimidazol-3-ium iodide

Systemtic Name: 2-azanyl-1,3-bis[[3-chloranyl-4-[dimethyl(sulfinato)azaniumyl]phenoxy]methyl]benzimidazol-3-ium iodide Openeye Name: 2-amino-1,3-bis[[3-chloro-4-[dimethyl(sulfinato)ammonio]phenoxy]methyl]benzimidazol-3-ium iodide CAS Name: 2-amino-1,3-bis[[3-chloro-4-[dimethyl(sulfinato)ammonio]phenoxy]methyl]benzimidazol-3-ium iodide IUPAC Name: 2-amino-1,3-bis[[3-chloro-4-[dimethyl(sulfinato)azaniumyl]phenoxy]methyl]benzimidazol-3-ium iodide Traditional Name: 2-amino-1,3-bis[[3-chloro-4-[dimethyl(sulfinato)ammonio]phenoxy]methyl]benzimidazol-3-ium iodide Formula: C25H28Cl2IN5O6S2 MolecularWeight: 756.46019

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1=C(C=C(C=C1)OCN2C3=CC=CC=C3[N+](=C2N)COC4=CC(=C(C=C4)[N+](C)(C)S(=O)[O-])Cl)Cl)S(=O)[O-].[I-]

Isomeric SMILES

C[N+](C)(C1=C(C=C(C=C1)OCN2C3=CC=CC=C3[N+](=C2N)COC4=CC(=C(C=C4)[N+](C)(C)S(=O)[O-])Cl)Cl)S(=O)[O-].[I-]

InChI

InChI=1S/C25H27Cl2N5O6S2.HI/c1-31(2,39(33)34)23-11-9-17(13-19(23)26)37-15-29-21-7-5-6-8-22(21)30(25(29)28)16-38-18-10-12-24(20(27)14-18)32(3,4)40(35)36;/h5-14,28H,15-16H2,1-4H3;1H