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

Systemtic Name: N-(2-dodecoxy-3-fluoranyl-phenyl)-3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide Openeye Name: N-(2-dodecoxy-3-fluoro-phenyl)-3-[(5-methylthiazol-3-ium-3-yl)methyl]benzamide CAS Name: N-(2-dodecoxy-3-fluorophenyl)-3-[(5-methyl-3-thiazol-3-iumyl)methyl]benzamide IUPAC Name: N-(2-dodecoxy-3-fluorophenyl)-3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide Traditional Name: N-(3-fluoro-2-lauryloxy-phenyl)-3-[(5-methylthiazol-3-ium-3-yl)methyl]benzamide Formula: C30H40FN2O2S+ MolecularWeight: 511.714203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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