1-butyl-2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-iumyl]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide Formula: C24H31N4O4S+ MolecularWeight: 471.59234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+]3CCCC3C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+]3CCC[C@H]3C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C24H30N4O4S/c1-2-3-11-28-21-8-7-18(33(25,29)30)15-19(21)26-24(28)16-27-10-4-5-20(27)17-6-9-22-23(14-17)32-13-12-31-22/h6-9,14-15,20H,2-5,10-13,16H2,1H3,(H2,25,29,30)/p+1/t20-/m0/s1