1-[(3-fluorophenyl)methyl]-4-propan-2-yl-piperazine-1,4-diium

Systemtic Name: 1-[(3-fluorophenyl)methyl]-4-propan-2-yl-piperazine-1,4-diium Openeye Name: 1-[(3-fluorophenyl)methyl]-4-isopropyl-piperazine-1,4-diium CAS Name: 1-[(3-fluorophenyl)methyl]-4-propan-2-ylpiperazine-1,4-diium IUPAC Name: 1-[(3-fluorophenyl)methyl]-4-propan-2-ylpiperazine-1,4-diium Traditional Name: 1-(3-fluorobenzyl)-4-isopropyl-piperazine-1,4-diium Formula: C14H23FN2+2 MolecularWeight: 238.344223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CC[NH+](CC1)CC2=CC(=CC=C2)F

Isomeric SMILES

CC(C)[NH+]1CC[NH+](CC1)CC2=CC(=CC=C2)F

InChI

InChI=1S/C14H21FN2/c1-12(2)17-8-6-16(7-9-17)11-13-4-3-5-14(15)10-13/h3-5,10,12H,6-9,11H2,1-2H3/p+2