[(2S)-1,4-dioxan-2-yl]methyl-methyl-[[3-(1H-pyrazol-4-yl)phenyl]methyl]azanium

Systemtic Name: [(2S)-1,4-dioxan-2-yl]methyl-methyl-[[3-(1H-pyrazol-4-yl)phenyl]methyl]azanium Openeye Name: [(2S)-1,4-dioxan-2-yl]methyl-methyl-[[3-(1H-pyrazol-4-yl)phenyl]methyl]ammonium CAS Name: [(2S)-1,4-dioxan-2-yl]methyl-methyl-[[3-(1H-pyrazol-4-yl)phenyl]methyl]ammonium IUPAC Name: [(2S)-1,4-dioxan-2-yl]methyl-methyl-[[3-(1H-pyrazol-4-yl)phenyl]methyl]azanium Traditional Name: [(2S)-1,4-dioxan-2-yl]methyl-methyl-[3-(1H-pyrazol-4-yl)benzyl]ammonium Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2/c1-19(11-16-12-20-5-6-21-16)10-13-3-2-4-14(7-13)15-8-17-18-9-15/h2-4,7-9,16H,5-6,10-12H2,1H3,(H,17,18)/p+1/t16-/m0/s1