(2,5-dimethylfuran-3-yl)-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (2,5-dimethylfuran-3-yl)-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2,5-dimethyl-3-furyl)-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (2,5-dimethyl-3-furanyl)-[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2,5-dimethylfuran-3-yl)-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2,5-dimethyl-3-furyl)-[4-(3-fluorobenzyl)piperazin-4-ium-1-yl]methanone Formula: C18H22FN2O2+ MolecularWeight: 317.377883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C18H21FN2O2/c1-13-10-17(14(2)23-13)18(22)21-8-6-20(7-9-21)12-15-4-3-5-16(19)11-15/h3-5,10-11H,6-9,12H2,1-2H3/p+1