[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(2S)-heptan-2-yl]azanium

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(2S)-heptan-2-yl]azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1S)-1-methylhexyl]ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(2S)-heptan-2-yl]ammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(2S)-heptan-2-yl]azanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1S)-1-methylhexyl]ammonium Formula: C16H26NO2+ MolecularWeight: 264.38314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)[NH2+]CC1COC2=CC=CC=C2O1

Isomeric SMILES

CCCCC[C@H](C)[NH2+]C[C@H]1COC2=CC=CC=C2O1

InChI

InChI=1S/C16H25NO2/c1-3-4-5-8-13(2)17-11-14-12-18-15-9-6-7-10-16(15)19-14/h6-7,9-10,13-14,17H,3-5,8,11-12H2,1-2H3/p+1/t13-,14-/m0/s1