1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(4-fluorophenyl)piperazin-1-ium

Systemtic Name: 1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(4-fluorophenyl)piperazin-1-ium Openeye Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(4-fluorophenyl)piperazin-1-ium CAS Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(4-fluorophenyl)piperazin-1-ium IUPAC Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(4-fluorophenyl)piperazin-1-ium Traditional Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(4-fluorophenyl)piperazin-1-ium Formula: C20H23ClFN2O2+ MolecularWeight: 377.860223

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F)Cl)OC1

InChI

InChI=1S/C20H22ClFN2O2/c21-18-12-15(13-19-20(18)26-11-1-10-25-19)14-23-6-8-24(9-7-23)17-4-2-16(22)3-5-17/h2-5,12-13H,1,6-11,14H2/p+1