4-[4-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 4-[4-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-[[5-(6-methoxy-2-naphthyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-[[5-(6-methoxy-2-naphthalenyl)-1H-pyrazol-4-yl]methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-[[5-(6-methoxy-2-naphthyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Formula: C25H27N4O2+ MolecularWeight: 415.50748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C3=C(C=NN3)C[NH+]4CCN(CC4)C5=CC=C(C=C5)O

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C3=C(C=NN3)C[NH+]4CCN(CC4)C5=CC=C(C=C5)O

InChI

InChI=1S/C25H26N4O2/c1-31-24-9-4-18-14-20(3-2-19(18)15-24)25-21(16-26-27-25)17-28-10-12-29(13-11-28)22-5-7-23(30)8-6-22/h2-9,14-16,30H,10-13,17H2,1H3,(H,26,27)/p+1