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

Systemtic Name: 3-fluoranyl-2-tetradecoxy-N-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]benzamide bromide Openeye Name: 3-fluoro-2-tetradecoxy-N-[2-(thiazol-3-ium-3-ylmethyl)phenyl]benzamide bromide CAS Name: 3-fluoro-2-tetradecoxy-N-[2-(3-thiazol-3-iumylmethyl)phenyl]benzamide bromide IUPAC Name: 3-fluoro-2-tetradecoxy-N-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]benzamide bromide Traditional Name: 3-fluoro-2-myristyloxy-N-[2-(thiazol-3-ium-3-ylmethyl)phenyl]benzamide bromide Formula: C31H42BrFN2O2S MolecularWeight: 605.644783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H41FN2O2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-15-22-36-30-27(18-16-19-28(30)32)31(35)33-29-20-14-13-17-26(29)24-34-21-23-37-25-34;/h13-14,16-21,23,25H,2-12,15,22,24H2,1H3;1H