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

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-1-methoxypropan-2-yl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-methoxy-1-methyl-ethyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-1-methoxypropan-2-yl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-1-methoxypropan-2-yl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-methoxy-1-methyl-ethyl]ammonium Formula: C13H20NO3+ MolecularWeight: 238.3028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC)[NH2+]CC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

C[C@@H](COC)[NH2+]CC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C13H19NO3/c1-10(9-15-2)14-8-11-3-4-12-13(7-11)17-6-5-16-12/h3-4,7,10,14H,5-6,8-9H2,1-2H3/p+1/t10-/m0/s1