[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-[(2S)-2-ethylhexyl]azanium

Systemtic Name: [(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-[(2S)-2-ethylhexyl]azanium Openeye Name: [(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-[(2S)-2-ethylhexyl]ammonium CAS Name: [(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-[(2S)-2-ethylhexyl]ammonium IUPAC Name: [(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-[(2S)-2-ethylhexyl]azanium Traditional Name: [(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-[(2S)-2-ethylhexyl]ammonium Formula: C17H28NO2+ MolecularWeight: 278.40972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH2+]C(C)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCC[C@H](CC)C[NH2+][C@H](C)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C17H27NO2/c1-4-6-7-14(5-2)11-18-13(3)15-8-9-16-17(10-15)20-12-19-16/h8-10,13-14,18H,4-7,11-12H2,1-3H3/p+1/t13-,14+/m1/s1