N-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-fluoranyl-benzamide

Systemtic Name: N-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-fluoranyl-benzamide Openeye Name: N-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-2-fluoro-benzamide CAS Name: N-[2-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2-fluorobenzamide IUPAC Name: N-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-2-fluorobenzamide Traditional Name: N-[2-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-2-fluoro-benzamide Formula: C20H22ClFN3O2+ MolecularWeight: 390.858983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)CNC(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)CNC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H21ClFN3O2/c21-16-5-3-4-15(12-16)14-24-8-10-25(11-9-24)19(26)13-23-20(27)17-6-1-2-7-18(17)22/h1-7,12H,8-11,13-14H2,(H,23,27)/p+1