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

Systemtic Name: 1-adamantyl-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: 1-adamantyl-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone CAS Name: 1-adamantyl-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1-adamantyl-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: 1-adamantyl-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone Formula: C22H32N3O+ MolecularWeight: 354.50898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=N2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=N2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H31N3O/c26-21(22-14-17-11-18(15-22)13-19(12-17)16-22)25-9-7-24(8-10-25)6-4-20-3-1-2-5-23-20/h1-3,5,17-19H,4,6-16H2/p+1