1-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-propan-1-one

Systemtic Name: 1-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-3-phenyl-1-propanone IUPAC Name: 1-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[4-(2-chloro-4-fluoro-benzyl)piperazin-4-ium-1-yl]-3-phenyl-propan-1-one Formula: C20H23ClFN2O+ MolecularWeight: 361.860823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=C(C=C2)F)Cl)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=C(C=C2)F)Cl)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C20H22ClFN2O/c21-19-14-18(22)8-7-17(19)15-23-10-12-24(13-11-23)20(25)9-6-16-4-2-1-3-5-16/h1-5,7-8,14H,6,9-13,15H2/p+1