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

Systemtic Name: 2-[4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanol Formula: C23H29N4O2+ MolecularWeight: 393.50196

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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)CCO

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2/c1-25-17-20(18-27-13-11-26(12-14-27)15-16-28)23(24-25)19-7-9-22(10-8-19)29-21-5-3-2-4-6-21/h2-10,17,28H,11-16,18H2,1H3/p+1