2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone CAS Name: 2-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thio]-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thio]-1-(4-pyridin-1-ium-4-ylpiperazino)ethanone Formula: C20H24N5OS+ MolecularWeight: 382.50246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2N1)SCC(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2N1)SCC(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C20H23N5OS/c1-15(20-22-17-4-2-3-5-18(17)23-20)27-14-19(26)25-12-10-24(11-13-25)16-6-8-21-9-7-16/h2-9,15H,10-14H2,1H3,(H,22,23)/p+1/t15-/m1/s1