1-(1-adamantyl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(1-adamantyl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanone Openeye Name: 1-(1-adamantyl)-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylethanone Traditional Name: 1-(1-adamantyl)-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]ethanone Formula: C22H32N3O3S2+ MolecularWeight: 450.63778

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H31N3O3S2/c1-24-4-6-25(7-5-24)30(27,28)19-2-3-21(23-14-19)29-15-20(26)22-11-16-8-17(12-22)10-18(9-16)13-22/h2-3,14,16-18H,4-13,15H2,1H3/p+1