2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[1-(2,3-dimethylphenyl)-2-imidazolyl]thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C22H26N5OS+ MolecularWeight: 408.53974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C=CN=C2SCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C=CN=C2SCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C22H25N5OS/c1-17-6-5-7-19(18(17)2)27-11-10-24-22(27)29-16-21(28)26-14-12-25(13-15-26)20-8-3-4-9-23-20/h3-11H,12-16H2,1-2H3/p+1