2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C20H24N5O2S+ MolecularWeight: 398.50186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H23N5O2S/c1-2-27-15-6-7-16-17(13-15)23-20(22-16)28-14-19(26)25-11-9-24(10-12-25)18-5-3-4-8-21-18/h3-8,13H,2,9-12,14H2,1H3,(H,22,23)/p+1