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

Systemtic Name: 2-(3-fluoranyl-2-tetradecoxy-phenyl)-N-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(3-fluoro-2-tetradecoxy-phenyl)-N-[2-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(3-fluoro-2-tetradecoxyphenyl)-N-[2-(3-thiazol-3-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(3-fluoro-2-tetradecoxyphenyl)-N-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(3-fluoro-2-myristyloxy-phenyl)-N-[2-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Formula: C32H44BrFN2O2S MolecularWeight: 619.671363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H43FN2O2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-15-22-37-32-27(18-16-19-29(32)33)24-31(36)34-30-20-14-13-17-28(30)25-35-21-23-38-26-35;/h13-14,16-21,23,26H,2-12,15,22,24-25H2,1H3;1H