N-(1-adamantyl)-2-[2-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-[2-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[2-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]thio]acetamide Formula: C24H34N3O2S+ MolecularWeight: 428.61066

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H33N3O2S/c1-26-6-8-27(9-7-26)23(29)20-4-2-3-5-21(20)30-16-22(28)25-24-13-17-10-18(14-24)12-19(11-17)15-24/h2-5,17-19H,6-16H2,1H3,(H,25,28)/p+1