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

Systemtic Name: (3,5-dimethyl-1-benzofuran-2-yl)-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3,5-dimethylbenzofuran-2-yl)-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3,5-dimethyl-2-benzofuranyl)-[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3,5-dimethyl-1-benzofuran-2-yl)-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3,5-dimethylbenzofuran-2-yl)-[4-(3-fluorobenzyl)piperazin-4-ium-1-yl]methanone Formula: C22H24FN2O2+ MolecularWeight: 367.436563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CC[NH+](CC3)CC4=CC(=CC=C4)F

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CC[NH+](CC3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C22H23FN2O2/c1-15-6-7-20-19(12-15)16(2)21(27-20)22(26)25-10-8-24(9-11-25)14-17-4-3-5-18(23)13-17/h3-7,12-13H,8-11,14H2,1-2H3/p+1