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

Systemtic Name: 1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-ium Openeye Name: 1-[(2-chloro-4-fluoro-phenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-ium CAS Name: 1-[(2-chloro-4-fluorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-ium IUPAC Name: 1-[(2-chloro-4-fluorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-ium Traditional Name: 1-(2-chloro-4-fluoro-benzyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-ium Formula: C20H23ClFN2O2+ MolecularWeight: 377.860223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=C(C=C2)F)Cl)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=C(C=C2)F)Cl)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H22ClFN2O2/c21-18-12-17(22)3-2-16(18)14-24-7-5-23(6-8-24)13-15-1-4-19-20(11-15)26-10-9-25-19/h1-4,11-12H,5-10,13-14H2/p+1