[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(7-fluoranyl-3-methyl-1-benzofuran-2-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(7-fluoranyl-3-methyl-1-benzofuran-2-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(7-fluoro-3-methyl-benzofuran-2-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(7-fluoro-3-methyl-2-benzofuranyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone Traditional Name: (7-fluoro-3-methyl-benzofuran-2-yl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C22H22FN2O4+ MolecularWeight: 397.419483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC=C2F)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(OC2=C1C=CC=C2F)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H21FN2O4/c1-14-16-3-2-4-17(23)21(16)29-20(14)22(26)25-9-7-24(8-10-25)12-15-5-6-18-19(11-15)28-13-27-18/h2-6,11H,7-10,12-13H2,1H3/p+1