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

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-[2-(1H-pyrazol-4-yl)ethyl]azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-[2-(1H-pyrazol-4-yl)ethyl]ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-[2-(1H-pyrazol-4-yl)ethyl]ammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-[2-(1H-pyrazol-4-yl)ethyl]azanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-[2-(1H-pyrazol-4-yl)ethyl]ammonium Formula: C15H20N3O2+ MolecularWeight: 274.3382

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CNN=C1)CC2COC3=CC=CC=C3O2

Isomeric SMILES

C[NH+](CCC1=CNN=C1)C[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C15H19N3O2/c1-18(7-6-12-8-16-17-9-12)10-13-11-19-14-4-2-3-5-15(14)20-13/h2-5,8-9,13H,6-7,10-11H2,1H3,(H,16,17)/p+1/t13-/m0/s1