1,3-benzodioxol-5-ylmethyl-methyl-[(3S,5S)-5-methyl-2-oxidanylidene-oxolan-3-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(3S,5S)-5-methyl-2-oxidanylidene-oxolan-3-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(3S,5S)-5-methyl-2-oxo-tetrahydrofuran-3-yl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(3S,5S)-5-methyl-2-oxo-3-oxolanyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]azanium Traditional Name: [(3S,5S)-2-keto-5-methyl-tetrahydrofuran-3-yl]-methyl-piperonyl-ammonium Formula: C14H18NO4+ MolecularWeight: 264.29702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)O1)[NH+](C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H]1C[C@@H](C(=O)O1)[NH+](C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H17NO4/c1-9-5-11(14(16)19-9)15(2)7-10-3-4-12-13(6-10)18-8-17-12/h3-4,6,9,11H,5,7-8H2,1-2H3/p+1/t9-,11-/m0/s1