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

Systemtic Name: 3-[(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]propan-1-ol Openeye Name: 3-[(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]propan-1-ol CAS Name: 3-[(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]-2-piperidin-1-iumyl]-1-propanol IUPAC Name: 3-[(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]propan-1-ol Traditional Name: 3-[(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]propan-1-ol Formula: C25H32N3O2+ MolecularWeight: 406.54048

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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+]4CCCCC4CCCO

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O2/c1-27-18-21(19-28-16-6-5-8-22(28)9-7-17-29)25(26-27)20-12-14-24(15-13-20)30-23-10-3-2-4-11-23/h2-4,10-15,18,22,29H,5-9,16-17,19H2,1H3/p+1/t22-/m0/s1