2-(1-adamantylsulfanyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(1-adamantylsulfanyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(1-adamantylsulfanyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(1-adamantylthio)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantylsulfanyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(1-adamantylthio)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C21H30N3OS+ MolecularWeight: 372.5474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H29N3OS/c25-20(24-7-5-23(6-8-24)19-3-1-2-4-22-19)15-26-21-12-16-9-17(13-21)11-18(10-16)14-21/h1-4,16-18H,5-15H2/p+1