2-[1-(3-chloranyl-2-methyl-phenyl)imidazol-2-yl]sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[1-(3-chloranyl-2-methyl-phenyl)imidazol-2-yl]sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[1-(3-chloro-2-methyl-phenyl)imidazol-2-yl]sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[1-(3-chloro-2-methylphenyl)-2-imidazolyl]thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[1-(3-chloro-2-methyl-phenyl)imidazol-2-yl]thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C21H23ClN5OS+ MolecularWeight: 428.95822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C=CN=C2SCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C=CN=C2SCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H22ClN5OS/c1-16-17(22)5-4-6-18(16)27-10-9-24-21(27)29-15-20(28)26-13-11-25(12-14-26)19-7-2-3-8-23-19/h2-10H,11-15H2,1H3/p+1