2-(2-dodecoxy-3-fluoranyl-phenyl)-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide

Systemtic Name: 2-(2-dodecoxy-3-fluoranyl-phenyl)-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide Openeye Name: 2-(2-dodecoxy-3-fluoro-phenyl)-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide CAS Name: 2-(2-dodecoxy-3-fluorophenyl)-N-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]acetamide IUPAC Name: 2-(2-dodecoxy-3-fluorophenyl)-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide Traditional Name: 2-(3-fluoro-2-lauryloxy-phenyl)-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide Formula: C31H42FN2O2S+ MolecularWeight: 525.740783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=CC=C1F)CC(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=CC=C1F)CC(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C

InChI

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