[4-(1-adamantyl)piperazin-4-ium-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(3-pyridyl)methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-(3-pyridinyl)methanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-pyridin-3-ylmethanone Traditional Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(3-pyridyl)methanone Formula: C20H28N3O+ MolecularWeight: 326.45582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)C5=CN=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)C5=CN=CC=C5

InChI

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