1-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole

Systemtic Name: 1-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole Openeye Name: 1-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole CAS Name: 1-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzimidazole IUPAC Name: 1-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole Traditional Name: 1-[(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)methyl]benzimidazole Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C=NC4=CC=CC=C43

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C=NC4=CC=CC=C43

InChI

InChI=1S/C20H24N4O3S/c1-2-27-17-7-9-18(10-8-17)28(25,26)24-13-11-22(12-14-24)16-23-15-21-19-5-3-4-6-20(19)23/h3-10,15H,2,11-14,16H2,1H3/p+1