[4-(2-adamantyl)piperazin-4-ium-1-yl]-pyridin-4-yl-methanone

Systemtic Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(4-pyridyl)methanone CAS Name: [4-(2-adamantyl)-1-piperazin-4-iumyl]-pyridin-4-ylmethanone IUPAC Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(4-pyridyl)methanone Formula: C20H28N3O+ MolecularWeight: 326.45582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2C3CC4CC(C3)CC2C4)C(=O)C5=CC=NC=C5

Isomeric SMILES

C1CN(CC[NH+]1C2C3CC4CC(C3)CC2C4)C(=O)C5=CC=NC=C5

InChI

InChI=1S/C20H27N3O/c24-20(16-1-3-21-4-2-16)23-7-5-22(6-8-23)19-17-10-14-9-15(12-17)13-18(19)11-14/h1-4,14-15,17-19H,5-13H2/p+1