(4-bromophenyl)carbonyl-(4-fluorophenyl)-propanoyl-(pyridin-3-ylmethyl)azanium

Systemtic Name: (4-bromophenyl)carbonyl-(4-fluorophenyl)-propanoyl-(pyridin-3-ylmethyl)azanium Openeye Name: (4-bromobenzoyl)-(4-fluorophenyl)-propanoyl-(3-pyridylmethyl)ammonium CAS Name: [(4-bromophenyl)-oxomethyl]-(4-fluorophenyl)-(1-oxopropyl)-(3-pyridinylmethyl)ammonium IUPAC Name: (4-bromobenzoyl)-(4-fluorophenyl)-propanoyl-(pyridin-3-ylmethyl)azanium Traditional Name: (4-bromobenzoyl)-(4-fluorophenyl)-propionyl-(3-pyridylmethyl)ammonium Formula: C22H19BrFN2O2+ MolecularWeight: 442.300863

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)[N+](CC1=CN=CC=C1)(C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCC(=O)[N+](CC1=CN=CC=C1)(C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H19BrFN2O2/c1-2-21(27)26(15-16-4-3-13-25-14-16,20-11-9-19(24)10-12-20)22(28)17-5-7-18(23)8-6-17/h3-14H,2,15H2,1H3/q+1