2-(1-adamantyl)-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]ethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-(4-pyridin-1-ium-2-ylpiperazino)sulfonylethyl]acetamide Formula: C23H35N4O3S+ MolecularWeight: 447.614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCNC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCNC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H34N4O3S/c28-22(17-23-14-18-11-19(15-23)13-20(12-18)16-23)25-5-10-31(29,30)27-8-6-26(7-9-27)21-3-1-2-4-24-21/h1-4,18-20H,5-17H2,(H,25,28)/p+1