2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(2S)-5-methylhexan-2-yl]azanium

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(2S)-5-methylhexan-2-yl]azanium Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(1S)-1,4-dimethylpentyl]ammonium CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(2S)-5-methylhexan-2-yl]ammonium IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(2S)-5-methylhexan-2-yl]azanium Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(1S)-1,4-dimethylpentyl]ammonium Formula: C17H28NO2+ MolecularWeight: 278.40972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO2/c1-13(2)4-5-14(3)18-9-8-15-6-7-16-17(12-15)20-11-10-19-16/h6-7,12-14,18H,4-5,8-11H2,1-3H3/p+1/t14-/m0/s1