2-(3-fluoranyl-2-tetradecoxy-phenyl)-N-[2-(pyridin-1-ium-1-ylmethyl)phenyl]ethanamide bromide

Systemtic Name: 2-(3-fluoranyl-2-tetradecoxy-phenyl)-N-[2-(pyridin-1-ium-1-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(3-fluoro-2-tetradecoxy-phenyl)-N-[2-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(3-fluoro-2-tetradecoxyphenyl)-N-[2-(1-pyridin-1-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(3-fluoro-2-tetradecoxyphenyl)-N-[2-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(3-fluoro-2-myristyloxy-phenyl)-N-[2-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide Formula: C34H46BrFN2O2 MolecularWeight: 613.643643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1F)CC(=O)NC2=CC=CC=C2C[N+]3=CC=CC=C3.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1F)CC(=O)NC2=CC=CC=C2C[N+]3=CC=CC=C3.[Br-]

InChI

InChI=1S/C34H45FN2O2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-18-26-39-34-29(21-19-22-31(34)35)27-33(38)36-32-23-15-14-20-30(32)28-37-24-16-13-17-25-37;/h13-17,19-25H,2-12,18,26-28H2,1H3;1H