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

Systemtic Name: 2-(1-adamantyl)-N-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-oxo-2-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-keto-2-(4-pyridin-1-ium-4-ylpiperazino)ethyl]acetamide Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CNC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CNC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H32N4O2/c28-21(15-23-12-17-9-18(13-23)11-19(10-17)14-23)25-16-22(29)27-7-5-26(6-8-27)20-1-3-24-4-2-20/h1-4,17-19H,5-16H2,(H,25,28)/p+1