3-fluoranyl-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-2-tetradecoxy-benzamide bromide

Systemtic Name: 3-fluoranyl-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-2-tetradecoxy-benzamide bromide Openeye Name: 3-fluoro-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]-2-tetradecoxy-benzamide bromide CAS Name: 3-fluoro-N-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]-2-tetradecoxybenzamide bromide IUPAC Name: 3-fluoro-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-2-tetradecoxybenzamide bromide Traditional Name: 3-fluoro-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]-2-myristyloxy-benzamide bromide Formula: C32H44BrFN2O2S MolecularWeight: 619.671363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1F)C(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1F)C(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C.[Br-]

InChI

InChI=1S/C32H43FN2O2S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-37-31-29(19-16-20-30(31)33)32(36)34-28-18-15-17-27(22-28)24-35-23-26(2)38-25-35;/h15-20,22-23,25H,3-14,21,24H2,1-2H3;1H