2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-1-butyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-1-butyl-benzimidazole-5-sulfonamide Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-1-butyl-benzimidazole-5-sulfonamide CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]methyl]-1-butyl-5-benzimidazolesulfonamide IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-1-butylbenzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[(4-piperonylpiperazin-4-ium-1-yl)methyl]benzimidazole-5-sulfonamide Formula: C24H32N5O4S+ MolecularWeight: 486.60698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H31N5O4S/c1-2-3-8-29-21-6-5-19(34(25,30)31)14-20(21)26-24(29)16-28-11-9-27(10-12-28)15-18-4-7-22-23(13-18)33-17-32-22/h4-7,13-14H,2-3,8-12,15-17H2,1H3,(H2,25,30,31)/p+1