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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)F)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)F)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

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