(3S)-3-methoxy-1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium

Systemtic Name: (3S)-3-methoxy-1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium Openeye Name: (3S)-3-methoxy-1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium CAS Name: (3S)-3-methoxy-1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium IUPAC Name: (3S)-3-methoxy-1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium Traditional Name: (3S)-3-methoxy-1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium Formula: C22H26N3O+ MolecularWeight: 348.46134

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC[NH+](C1)CC2=C(NN=C2)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CO[C@H]1CCC[NH+](C1)CC2=C(NN=C2)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O/c1-26-21-8-5-13-25(16-21)15-20-14-23-24-22(20)19-11-9-18(10-12-19)17-6-3-2-4-7-17/h2-4,6-7,9-12,14,21H,5,8,13,15-16H2,1H3,(H,23,24)/p+1/t21-/m0/s1