1-ethyl-5-piperidin-1-ylsulfonyl-2-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]benzimidazole

Systemtic Name: 1-ethyl-5-piperidin-1-ylsulfonyl-2-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]benzimidazole Openeye Name: 1-ethyl-5-(1-piperidylsulfonyl)-2-[[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methyl]benzimidazole CAS Name: 1-ethyl-5-(1-piperidinylsulfonyl)-2-[[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]benzimidazole IUPAC Name: 1-ethyl-5-piperidin-1-ylsulfonyl-2-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]benzimidazole Traditional Name: 1-ethyl-5-piperidinosulfonyl-2-[[4-(3-thenyl)piperazin-4-ium-1-yl]methyl]benzimidazole Formula: C24H34N5O2S2+ MolecularWeight: 488.68906

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CN4CC[NH+](CC4)CC5=CSC=C5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CN4CC[NH+](CC4)CC5=CSC=C5

InChI

InChI=1S/C24H33N5O2S2/c1-2-29-23-7-6-21(33(30,31)28-9-4-3-5-10-28)16-22(23)25-24(29)18-27-13-11-26(12-14-27)17-20-8-15-32-19-20/h6-8,15-16,19H,2-5,9-14,17-18H2,1H3/p+1