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

Systemtic Name: [(2S)-butan-2-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(1S)-1-methylpropyl]ammonium Formula: C14H22NO2+ MolecularWeight: 236.32998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CCC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC[C@H](C)[NH2+]CCC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C14H21NO2/c1-3-11(2)15-7-6-12-4-5-13-14(10-12)17-9-8-16-13/h4-5,10-11,15H,3,6-9H2,1-2H3/p+1/t11-/m0/s1