[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-cyclohexyl-[(4-fluorophenyl)methyl]ammonium CAS Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]ammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium Traditional Name: cyclohexyl-(4-fluorobenzyl)-[2-keto-2-(piperonylamino)ethyl]ammonium Formula: C23H28FN2O3+ MolecularWeight: 399.478423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+](CC2=CC=C(C=C2)F)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(CC1)[NH+](CC2=CC=C(C=C2)F)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H27FN2O3/c24-19-9-6-17(7-10-19)14-26(20-4-2-1-3-5-20)15-23(27)25-13-18-8-11-21-22(12-18)29-16-28-21/h6-12,20H,1-5,13-16H2,(H,25,27)/p+1