1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-4-(pyridin-3-ylmethyl)piperazin-1-ium

Systemtic Name: 1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-4-(pyridin-3-ylmethyl)piperazin-1-ium Openeye Name: 1-[[5-(6-methoxy-2-naphthyl)-1H-pyrazol-4-yl]methyl]-4-(3-pyridylmethyl)piperazin-1-ium CAS Name: 1-[[5-(6-methoxy-2-naphthalenyl)-1H-pyrazol-4-yl]methyl]-4-(3-pyridinylmethyl)piperazin-1-ium IUPAC Name: 1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-4-(pyridin-3-ylmethyl)piperazin-1-ium Traditional Name: 1-[[5-(6-methoxy-2-naphthyl)-1H-pyrazol-4-yl]methyl]-4-(3-pyridylmethyl)piperazin-1-ium Formula: C25H28N5O+ MolecularWeight: 414.52272

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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)CC5=CN=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C3=C(C=NN3)C[NH+]4CCN(CC4)CC5=CN=CC=C5

InChI

InChI=1S/C25H27N5O/c1-31-24-7-6-20-13-22(5-4-21(20)14-24)25-23(16-27-28-25)18-30-11-9-29(10-12-30)17-19-3-2-8-26-15-19/h2-8,13-16H,9-12,17-18H2,1H3,(H,27,28)/p+1