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

Systemtic Name: 2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]phenol Formula: C17H22N3O+ MolecularWeight: 284.37608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=N2)C3=CC=CC=C3O

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=N2)C3=CC=CC=C3O

InChI

InChI=1S/C17H21N3O/c21-17-7-2-1-6-16(17)20-13-11-19(12-14-20)10-8-15-5-3-4-9-18-15/h1-7,9,21H,8,10-14H2/p+1