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

Systemtic Name: (7-fluoranyl-3-methyl-1-benzofuran-2-yl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (7-fluoro-3-methyl-benzofuran-2-yl)-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (7-fluoro-3-methyl-2-benzofuranyl)-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (7-fluoro-3-methyl-1-benzofuran-2-yl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (7-fluoro-3-methyl-benzofuran-2-yl)-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C22H24FN2O2+ MolecularWeight: 367.436563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=C(C4=C(O3)C(=CC=C4)F)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=C(C4=C(O3)C(=CC=C4)F)C

InChI

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