(2S,6S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-dimethyl-piperazin-4-ium

Systemtic Name: (2S,6S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-dimethyl-piperazin-4-ium Openeye Name: (2S,6S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-dimethyl-piperazin-4-ium CAS Name: (2S,6S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-dimethylpiperazin-4-ium IUPAC Name: (2S,6S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-dimethylpiperazin-4-ium Traditional Name: (2S,6S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-dimethyl-piperazin-4-ium Formula: C14H21N2O2+ MolecularWeight: 249.32874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH2+]CC(N1C2=CC3=C(C=C2)OCCO3)C

Isomeric SMILES

C[C@H]1C[NH2+]C[C@@H](N1C2=CC3=C(C=C2)OCCO3)C

InChI

InChI=1S/C14H20N2O2/c1-10-8-15-9-11(2)16(10)12-3-4-13-14(7-12)18-6-5-17-13/h3-4,7,10-11,15H,5-6,8-9H2,1-2H3/p+1/t10-,11-/m0/s1