[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]-(2-fluorophenyl)methanone

Systemtic Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]-(2-fluorophenyl)methanone Openeye Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]-(2-fluorophenyl)methanone CAS Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazin-4-iumyl]-(2-fluorophenyl)methanone IUPAC Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]-(2-fluorophenyl)methanone Traditional Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]-(2-fluorophenyl)methanone Formula: C20H22FN2O3+ MolecularWeight: 357.398683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC=CC=C4F

InChI

InChI=1S/C20H21FN2O3/c21-17-4-2-1-3-16(17)20(24)23-9-7-22(8-10-23)14-15-5-6-18-19(13-15)26-12-11-25-18/h1-6,13H,7-12,14H2/p+1