1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-4-(pyridin-2-ylmethyl)piperazin-1-ium

Systemtic Name: 1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-4-(pyridin-2-ylmethyl)piperazin-1-ium Openeye Name: 1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-4-(2-pyridylmethyl)piperazin-1-ium CAS Name: 1-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]-4-(2-pyridinylmethyl)piperazin-1-ium IUPAC Name: 1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-4-(pyridin-2-ylmethyl)piperazin-1-ium Traditional Name: 1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-4-(2-pyridylmethyl)piperazin-1-ium Formula: C27H30N5O+ MolecularWeight: 440.56

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH+]4CCN(CC4)CC5=CC=CC=N5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH+]4CCN(CC4)CC5=CC=CC=N5

InChI

InChI=1S/C27H29N5O/c1-30-19-23(20-31-15-17-32(18-16-31)21-24-7-5-6-14-28-24)27(29-30)22-10-12-26(13-11-22)33-25-8-3-2-4-9-25/h2-14,19H,15-18,20-21H2,1H3/p+1