[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone

Systemtic Name: [4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone Openeye Name: [4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3-methylbenzofuran-2-yl)methanone CAS Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(3-methyl-2-benzofuranyl)methanone IUPAC Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone Traditional Name: [4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-(3-methylbenzofuran-2-yl)methanone Formula: C22H24FN2O3+ MolecularWeight: 383.435963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)N3CC[NH+](CC3)CC4=CC(=C(C=C4)OC)F

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)N3CC[NH+](CC3)CC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C22H23FN2O3/c1-15-17-5-3-4-6-19(17)28-21(15)22(26)25-11-9-24(10-12-25)14-16-7-8-20(27-2)18(23)13-16/h3-8,13H,9-12,14H2,1-2H3/p+1