N-(3-fluorophenyl)-2-[4-[(3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-[(3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-(3-methylbenzofuran-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[(3-methyl-2-benzofuranyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-(3-methylbenzofuran-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C22H23FN3O3+ MolecularWeight: 396.434723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C22H22FN3O3/c1-15-18-7-2-3-8-19(18)29-21(15)22(28)26-11-9-25(10-12-26)14-20(27)24-17-6-4-5-16(23)13-17/h2-8,13H,9-12,14H2,1H3,(H,24,27)/p+1