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

Systemtic Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]-(3-fluoranyl-4-methyl-phenyl)methanone Openeye Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]-(3-fluoro-4-methyl-phenyl)methanone CAS Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazin-4-iumyl]-(3-fluoro-4-methylphenyl)methanone IUPAC Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]-(3-fluoro-4-methylphenyl)methanone Traditional Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]-(3-fluoro-4-methyl-phenyl)methanone Formula: C21H24FN2O3+ MolecularWeight: 371.425263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCCO4)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCCO4)F

InChI

InChI=1S/C21H23FN2O3/c1-15-2-4-17(13-18(15)22)21(25)24-8-6-23(7-9-24)14-16-3-5-19-20(12-16)27-11-10-26-19/h2-5,12-13H,6-11,14H2,1H3/p+1