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

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(4-pyridyl)methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-pyridin-4-ylmethanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-(1-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+]1C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=NC=C5

Isomeric SMILES

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

InChI

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