(2S)-2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]pyrrolidin-1-ium

Systemtic Name: (2S)-2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]pyrrolidin-1-ium Openeye Name: (2S)-2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]pyrrolidin-1-ium CAS Name: (2S)-2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]pyrrolidin-1-ium IUPAC Name: (2S)-2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]pyrrolidin-1-ium Traditional Name: (2S)-2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]pyrrolidin-1-ium Formula: C12H16NO2+ MolecularWeight: 206.26094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C2COC3=CC=CC=C3O2

Isomeric SMILES

C1C[C@H]([NH2+]C1)[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C12H15NO2/c1-2-6-11-10(5-1)14-8-12(15-11)9-4-3-7-13-9/h1-2,5-6,9,12-13H,3-4,7-8H2/p+1/t9-,12+/m0/s1