[(3S,4R)-3-pyrazol-1-yl-3,4-dihydro-2H-chromen-4-yl]azanium

Systemtic Name: [(3S,4R)-3-pyrazol-1-yl-3,4-dihydro-2H-chromen-4-yl]azanium Openeye Name: [(3S,4R)-3-pyrazol-1-ylchroman-4-yl]ammonium CAS Name: [(3S,4R)-3-(1-pyrazolyl)-3,4-dihydro-2H-1-benzopyran-4-yl]ammonium IUPAC Name: [(3S,4R)-3-pyrazol-1-yl-3,4-dihydro-2H-chromen-4-yl]azanium Traditional Name: [(3S,4R)-3-pyrazol-1-ylchroman-4-yl]ammonium Formula: C12H14N3O+ MolecularWeight: 216.25906

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C2=CC=CC=C2O1)[NH3+])N3C=CC=N3

Isomeric SMILES

C1[C@H]([C@@H](C2=CC=CC=C2O1)[NH3+])N3C=CC=N3

InChI

InChI=1S/C12H13N3O/c13-12-9-4-1-2-5-11(9)16-8-10(12)15-7-3-6-14-15/h1-7,10,12H,8,13H2/p+1/t10-,12-/m1/s1