(3R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-1-ium-3-ol

Systemtic Name: (3R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-1-ium-3-ol Openeye Name: (3R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-1-ium-3-ol CAS Name: (3R)-1-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]-3-pyrrolidin-1-iumol IUPAC Name: (3R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-1-ium-3-ol Traditional Name: (3R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-1-ium-3-ol Formula: C21H24N3O2+ MolecularWeight: 350.43416

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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+]4CCC(C4)O

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH+]4CC[C@H](C4)O

InChI

InChI=1S/C21H23N3O2/c1-23-13-17(14-24-12-11-18(25)15-24)21(22-23)16-7-9-20(10-8-16)26-19-5-3-2-4-6-19/h2-10,13,18,25H,11-12,14-15H2,1H3/p+1/t18-/m1/s1