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

Systemtic Name: 4-dodecoxy-3-fluoranyl-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]benzamide bromide Openeye Name: 4-dodecoxy-3-fluoro-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]benzamide bromide CAS Name: 4-dodecoxy-3-fluoro-N-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]benzamide bromide IUPAC Name: 4-dodecoxy-3-fluoro-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]benzamide bromide Traditional Name: 3-fluoro-4-lauryloxy-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]benzamide bromide Formula: C30H40BrFN2O2S MolecularWeight: 591.618203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)F.[Br-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)F.[Br-]

InChI

InChI=1S/C30H39FN2O2S.BrH/c1-3-4-5-6-7-8-9-10-11-12-18-35-29-17-16-26(20-28(29)31)30(34)32-27-15-13-14-25(19-27)22-33-21-24(2)36-23-33;/h13-17,19-21,23H,3-12,18,22H2,1-2H3;1H