[(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]methanol

Systemtic Name: [(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]methanol Openeye Name: [(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]methanol CAS Name: [(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]-2-piperidin-1-iumyl]methanol IUPAC Name: [(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]methanol Traditional Name: [(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]methanol Formula: C23H28N3O2+ MolecularWeight: 378.48732

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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+]4CCCCC4CO

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH+]4CCCC[C@H]4CO

InChI

InChI=1S/C23H27N3O2/c1-25-15-19(16-26-14-6-5-7-20(26)17-27)23(24-25)18-10-12-22(13-11-18)28-21-8-3-2-4-9-21/h2-4,8-13,15,20,27H,5-7,14,16-17H2,1H3/p+1/t20-/m0/s1