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

Systemtic Name: 1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-4-(pyridin-2-ylmethyl)piperazin-1-ium Openeye Name: 1-[[5-(6-methoxy-2-naphthyl)-1H-pyrazol-4-yl]methyl]-4-(2-pyridylmethyl)piperazin-1-ium CAS Name: 1-[[5-(6-methoxy-2-naphthalenyl)-1H-pyrazol-4-yl]methyl]-4-(2-pyridinylmethyl)piperazin-1-ium IUPAC Name: 1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-4-(pyridin-2-ylmethyl)piperazin-1-ium Traditional Name: 1-[[5-(6-methoxy-2-naphthyl)-1H-pyrazol-4-yl]methyl]-4-(2-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=CC=CC=N5

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C3=C(C=NN3)C[NH+]4CCN(CC4)CC5=CC=CC=N5

InChI

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