2-(3-fluoranyl-2-hexadecoxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]ethanamide bromide

Systemtic Name: 2-(3-fluoranyl-2-hexadecoxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(3-fluoro-2-hexadecoxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(3-fluoro-2-hexadecoxyphenyl)-N-[4-(1-pyridin-1-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(3-fluoro-2-hexadecoxyphenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(2-cetyloxy-3-fluoro-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide Formula: C36H50BrFN2O2 MolecularWeight: 641.696803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=CC=C1F)CC(=O)NC2=CC=C(C=C2)C[N+]3=CC=CC=C3.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=CC=C1F)CC(=O)NC2=CC=C(C=C2)C[N+]3=CC=CC=C3.[Br-]

InChI

InChI=1S/C36H49FN2O2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-28-41-36-32(20-19-21-34(36)37)29-35(40)38-33-24-22-31(23-25-33)30-39-26-16-15-17-27-39;/h15-17,19-27H,2-14,18,28-30H2,1H3;1H