N-[2,4-bis(fluoranyl)phenyl]-3-pyridin-1-ium-1-yl-propanamide bromide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-3-pyridin-1-ium-1-yl-propanamide bromide Openeye Name: N-(2,4-difluorophenyl)-3-pyridin-1-ium-1-yl-propanamide bromide CAS Name: N-(2,4-difluorophenyl)-3-(1-pyridin-1-iumyl)propanamide bromide IUPAC Name: N-(2,4-difluorophenyl)-3-pyridin-1-ium-1-ylpropanamide bromide Traditional Name: N-(2,4-difluorophenyl)-3-pyridin-1-ium-1-yl-propionamide bromide Formula: C14H13BrF2N2O MolecularWeight: 343.166626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCC(=O)NC2=C(C=C(C=C2)F)F.[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)CCC(=O)NC2=C(C=C(C=C2)F)F.[Br-]

InChI

InChI=1S/C14H12F2N2O.BrH/c15-11-4-5-13(12(16)10-11)17-14(19)6-9-18-7-2-1-3-8-18;/h1-5,7-8,10H,6,9H2;1H