2-(4-dodecoxy-3-fluoranyl-phenoxy)-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide

Systemtic Name: 2-(4-dodecoxy-3-fluoranyl-phenoxy)-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide Openeye Name: 2-(4-dodecoxy-3-fluoro-phenoxy)-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide CAS Name: 2-(4-dodecoxy-3-fluorophenoxy)-N-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]acetamide IUPAC Name: 2-(4-dodecoxy-3-fluorophenoxy)-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide Traditional Name: 2-(3-fluoro-4-lauryloxy-phenoxy)-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide Formula: C31H42FN2O3S+ MolecularWeight: 541.740183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H41FN2O3S/c1-3-4-5-6-7-8-9-10-11-12-18-36-30-17-16-28(20-29(30)32)37-23-31(35)33-27-15-13-14-26(19-27)22-34-21-25(2)38-24-34/h13-17,19-21,24H,3-12,18,22-23H2,1-2H3/p+1