[(2S)-1,4-dioxan-2-yl]methyl-methyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]azanium

Systemtic Name: [(2S)-1,4-dioxan-2-yl]methyl-methyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]azanium Openeye Name: [(2S)-1,4-dioxan-2-yl]methyl-methyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]ammonium CAS Name: [(2S)-1,4-dioxan-2-yl]methyl-methyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]ammonium IUPAC Name: [(2S)-1,4-dioxan-2-yl]methyl-methyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]azanium Traditional Name: [(2S)-1,4-dioxan-2-yl]methyl-methyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]ammonium Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1COCCO1)CC2=C(NN=C2)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C[C@H]1COCCO1)CC2=C(NN=C2)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2/c1-25(15-21-16-26-11-12-27-21)14-20-13-23-24-22(20)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,13,21H,11-12,14-16H2,1H3,(H,23,24)/p+1/t21-/m0/s1