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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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