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

Systemtic Name: 4-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-[2-(4-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=NC=C2)C3=CC=C(C=C3)O

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=NC=C2)C3=CC=C(C=C3)O

InChI

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