2-[5-(4-methylphenyl)-1-phenyl-imidazol-2-yl]sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[5-(4-methylphenyl)-1-phenyl-imidazol-2-yl]sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[1-phenyl-5-(p-tolyl)imidazol-2-yl]sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[5-(4-methylphenyl)-1-phenyl-2-imidazolyl]thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[1-phenyl-5-(p-tolyl)imidazol-2-yl]thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C27H28N5OS+ MolecularWeight: 470.60912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CN=C(N2C3=CC=CC=C3)SCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CN=C(N2C3=CC=CC=C3)SCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C27H27N5OS/c1-21-10-12-22(13-11-21)24-19-29-27(32(24)23-7-3-2-4-8-23)34-20-26(33)31-17-15-30(16-18-31)25-9-5-6-14-28-25/h2-14,19H,15-18,20H2,1H3/p+1