3-fluoranyl-N-[3-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-4-tetradecoxy-benzamide bromide

Systemtic Name: 3-fluoranyl-N-[3-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-4-tetradecoxy-benzamide bromide Openeye Name: 3-fluoro-N-[3-[(2-methylthiazol-3-ium-3-yl)methyl]phenyl]-4-tetradecoxy-benzamide bromide CAS Name: 3-fluoro-N-[3-[(2-methyl-3-thiazol-3-iumyl)methyl]phenyl]-4-tetradecoxybenzamide bromide IUPAC Name: 3-fluoro-N-[3-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-4-tetradecoxybenzamide bromide Traditional Name: 3-fluoro-N-[3-[(2-methylthiazol-3-ium-3-yl)methyl]phenyl]-4-myristyloxy-benzamide bromide Formula: C32H44BrFN2O2S MolecularWeight: 619.671363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C[N+]3=C(SC=C3)C)F.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C[N+]3=C(SC=C3)C)F.[Br-]

InChI

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