1-adamantyl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

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