[(2S)-1,4-dioxan-2-yl]methyl-methyl-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]azanium

Systemtic Name: [(2S)-1,4-dioxan-2-yl]methyl-methyl-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]azanium Openeye Name: [(2S)-1,4-dioxan-2-yl]methyl-[(3-isopropyl-1H-pyrazol-5-yl)methyl]-methyl-ammonium CAS Name: [(2S)-1,4-dioxan-2-yl]methyl-methyl-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]ammonium IUPAC Name: [(2S)-1,4-dioxan-2-yl]methyl-methyl-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]azanium Traditional Name: [(2S)-1,4-dioxan-2-yl]methyl-[(3-isopropyl-1H-pyrazol-5-yl)methyl]-methyl-ammonium Formula: C13H24N3O2+ MolecularWeight: 254.34856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NNC(=C1)C[NH+](C)CC2COCCO2

Isomeric SMILES

CC(C)C1=NNC(=C1)C[NH+](C)C[C@H]2COCCO2

InChI

InChI=1S/C13H23N3O2/c1-10(2)13-6-11(14-15-13)7-16(3)8-12-9-17-4-5-18-12/h6,10,12H,4-5,7-9H2,1-3H3,(H,14,15)/p+1/t12-/m0/s1