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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(2S)-octan-2-yl]azanium Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(1S)-1-methylheptyl]ammonium CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(2S)-octan-2-yl]ammonium IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(2S)-octan-2-yl]azanium Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(1S)-1-methylheptyl]ammonium Formula: C18H30NO2+ MolecularWeight: 292.4363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO2/c1-3-4-5-6-7-15(2)19-11-10-16-8-9-17-18(14-16)21-13-12-20-17/h8-9,14-15,19H,3-7,10-13H2,1-2H3/p+1/t15-/m0/s1