2-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C20H28N5O2S+ MolecularWeight: 402.53362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C20H27N5O2S/c1-15-4-5-16-17(12-15)22-20(21-16)28-14-19(27)25-10-8-23(9-11-25)13-18(26)24-6-2-3-7-24/h4-5,12H,2-3,6-11,13-14H2,1H3,(H,21,22)/p+1