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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC(=N1)SCC(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CCCCC1=C(NC(=N1)SCC(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C24H38N4OS/c1-3-4-5-21-17(2)25-23(26-21)30-16-22(29)27-6-8-28(9-7-27)24-13-18-10-19(14-24)12-20(11-18)15-24/h18-20H,3-16H2,1-2H3,(H,25,26)/p+1