1-(3,5-dimethylpiperidin-1-yl)-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(3,5-dimethylpiperidin-1-yl)-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanone Openeye Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-1-(3,5-dimethyl-1-piperidyl)ethanone CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-1-(3,5-dimethyl-1-piperidinyl)ethanone IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-1-(3,5-dimethylpiperidino)ethanone Formula: C22H26N3O3S2+ MolecularWeight: 444.59014

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=[N+](C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSC2=[N+](C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C22H25N3O3S2/c1-16-12-17(2)14-24(13-16)21(26)15-29-22-23-19-10-6-7-11-20(19)25(22)30(27,28)18-8-4-3-5-9-18/h3-11,16-17H,12-15H2,1-2H3/p+1