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

Systemtic Name: [(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-yl]methanol Openeye Name: [(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-yl]methanol CAS Name: [(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]-2-pyrrolidin-1-iumyl]methanol IUPAC Name: [(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-yl]methanol Traditional Name: [(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-yl]methanol Formula: C22H26N3O2+ MolecularWeight: 364.46074

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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+]4CCCC4CO

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2/c1-24-14-18(15-25-13-5-6-19(25)16-26)22(23-24)17-9-11-21(12-10-17)27-20-7-3-2-4-8-20/h2-4,7-12,14,19,26H,5-6,13,15-16H2,1H3/p+1/t19-/m0/s1