2-[4-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[2-[[1-(4-methoxyphenyl)-2-benzimidazolyl]thio]-1-oxoethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]thio]acetyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C26H32N5O3S+ MolecularWeight: 494.62898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)N4CC[NH+](CC4)CC(=O)N5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)N4CC[NH+](CC4)CC(=O)N5CCCC5

InChI

InChI=1S/C26H31N5O3S/c1-34-21-10-8-20(9-11-21)31-23-7-3-2-6-22(23)27-26(31)35-19-25(33)30-16-14-28(15-17-30)18-24(32)29-12-4-5-13-29/h2-3,6-11H,4-5,12-19H2,1H3/p+1