1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanone

Systemtic Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanone Openeye Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanone CAS Name: 1-[4-(1-adamantyl)-1-piperazin-4-iumyl]-2-(1,3-benzoxazol-2-ylthio)ethanone IUPAC Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanone Traditional Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-(1,3-benzoxazol-2-ylthio)ethanone Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)CSC5=NC6=CC=CC=C6O5

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)CSC5=NC6=CC=CC=C6O5

InChI

InChI=1S/C23H29N3O2S/c27-21(15-29-22-24-19-3-1-2-4-20(19)28-22)25-5-7-26(8-6-25)23-12-16-9-17(13-23)11-18(10-16)14-23/h1-4,16-18H,5-15H2/p+1