[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrazol-1-yl-ethyl]azanium

Systemtic Name: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrazol-1-yl-ethyl]azanium Openeye Name: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrazol-1-yl-ethyl]ammonium CAS Name: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrazol-1-ylethyl]azanium Traditional Name: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrazol-1-yl-ethyl]ammonium Formula: C13H16N3O2+ MolecularWeight: 246.28504

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(CN3C=CC=N3)[NH3+]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)[C@@H](CN3C=CC=N3)[NH3+]

InChI

InChI=1S/C13H15N3O2/c14-11(9-16-5-1-4-15-16)10-2-3-12-13(8-10)18-7-6-17-12/h1-5,8,11H,6-7,9,14H2/p+1/t11-/m1/s1