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

Systemtic Name: N-(2-adamantyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-adamantyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-adamantyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-adamantyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-adamantyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C21H32N4O+2 MolecularWeight: 356.50498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2C3CC4CC(C3)CC2C4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2C3CC4CC(C3)CC2C4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C21H30N4O/c26-20(23-21-17-10-15-9-16(12-17)13-18(21)11-15)14-24-5-7-25(8-6-24)19-3-1-2-4-22-19/h1-4,15-18,21H,5-14H2,(H,23,26)/p+2