1,3-benzodioxol-5-ylmethyl-[(2S,4S,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2S,4S,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(2S,4S,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2S,4S,5S)-1,2,5-trimethyl-4-piperidin-1-iumyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2S,4S,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium Traditional Name: piperonyl-[(2S,4S,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl]ammonium Formula: C16H26N2O2+2 MolecularWeight: 278.38984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C[NH+]1C)C)[NH2+]CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H]1C[C@@H]([C@H](C[NH+]1C)C)[NH2+]CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H24N2O2/c1-11-9-18(3)12(2)6-14(11)17-8-13-4-5-15-16(7-13)20-10-19-15/h4-5,7,11-12,14,17H,6,8-10H2,1-3H3/p+2/t11-,12-,14-/m0/s1