1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]ethanone Openeye Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-[(4-isobutyl-5-methyl-1H-imidazol-2-yl)sulfanyl]ethanone CAS Name: 1-[4-(1-adamantyl)-1-piperazin-4-iumyl]-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]thio]ethanone IUPAC Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]ethanone Traditional Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-[(4-isobutyl-5-methyl-1H-imidazol-2-yl)thio]ethanone Formula: C24H39N4OS+ MolecularWeight: 431.65766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)SCC(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4)CC(C)C

Isomeric SMILES

CC1=C(N=C(N1)SCC(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4)CC(C)C

InChI

InChI=1S/C24H38N4OS/c1-16(2)8-21-17(3)25-23(26-21)30-15-22(29)27-4-6-28(7-5-27)24-12-18-9-19(13-24)11-20(10-18)14-24/h16,18-20H,4-15H2,1-3H3,(H,25,26)/p+1