2-[4-[2-(1-adamantyl)ethyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 2-[4-[2-(1-adamantyl)ethyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[2-(1-adamantyl)ethyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[2-(1-adamantyl)ethyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[2-(1-adamantyl)ethyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[2-(1-adamantyl)ethyl]piperazin-4-ium-1-yl]phenol Formula: C22H33N2O+ MolecularWeight: 341.51022

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5O

Isomeric SMILES

C1CN(CC[NH+]1CCC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5O

InChI

InChI=1S/C22H32N2O/c25-21-4-2-1-3-20(21)24-9-7-23(8-10-24)6-5-22-14-17-11-18(15-22)13-19(12-17)16-22/h1-4,17-19,25H,5-16H2/p+1