4-[1-ethyl-2-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]benzimidazol-5-yl]sulfonylmorpholine

Systemtic Name: 4-[1-ethyl-2-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[1-ethyl-2-[[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methyl]benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[1-ethyl-2-[[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[1-ethyl-2-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]benzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[1-ethyl-2-[[4-(3-thenyl)piperazin-4-ium-1-yl]methyl]benzimidazol-5-yl]sulfonylmorpholine Formula: C23H32N5O3S2+ MolecularWeight: 490.66188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CN4CC[NH+](CC4)CC5=CSC=C5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CN4CC[NH+](CC4)CC5=CSC=C5

InChI

InChI=1S/C23H31N5O3S2/c1-2-28-22-4-3-20(33(29,30)27-10-12-31-13-11-27)15-21(22)24-23(28)17-26-8-6-25(7-9-26)16-19-5-14-32-18-19/h3-5,14-15,18H,2,6-13,16-17H2,1H3/p+1