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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-cyclopropyl-[(4-fluorophenyl)methyl]ammonium CAS Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]ammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium Traditional Name: cyclopropyl-(4-fluorobenzyl)-[2-keto-2-(piperonylamino)ethyl]ammonium Formula: C20H22FN2O3+ MolecularWeight: 357.398683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1[NH+](CC2=CC=C(C=C2)F)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC1[NH+](CC2=CC=C(C=C2)F)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21FN2O3/c21-16-4-1-14(2-5-16)11-23(17-6-7-17)12-20(24)22-10-15-3-8-18-19(9-15)26-13-25-18/h1-5,8-9,17H,6-7,10-13H2,(H,22,24)/p+1