1,3-benzodioxol-5-ylmethyl-[(1S,5R)-3,3,5-trimethylcyclohexyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1S,5R)-3,3,5-trimethylcyclohexyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S,5R)-3,3,5-trimethylcyclohexyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1S,5R)-3,3,5-trimethylcyclohexyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1S,5R)-3,3,5-trimethylcyclohexyl]azanium Traditional Name: piperonyl-[(1S,5R)-3,3,5-trimethylcyclohexyl]ammonium Formula: C17H26NO2+ MolecularWeight: 276.39384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)[NH2+]CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H]1C[C@@H](CC(C1)(C)C)[NH2+]CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H25NO2/c1-12-6-14(9-17(2,3)8-12)18-10-13-4-5-15-16(7-13)20-11-19-15/h4-5,7,12,14,18H,6,8-11H2,1-3H3/p+1/t12-,14-/m0/s1