furan-2-yl-[4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: furan-2-yl-[4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 2-furyl-[4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: 2-furanyl-[4-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: furan-2-yl-[4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 2-furyl-[4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]methanone Formula: C26H27N4O3+ MolecularWeight: 443.51758

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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)C(=O)C5=CC=CO5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH+]4CCN(CC4)C(=O)C5=CC=CO5

InChI

InChI=1S/C26H26N4O3/c1-28-18-21(19-29-13-15-30(16-14-29)26(31)24-8-5-17-32-24)25(27-28)20-9-11-23(12-10-20)33-22-6-3-2-4-7-22/h2-12,17-18H,13-16,19H2,1H3/p+1