1-(2-dodecoxy-4-methoxy-phenyl)-3-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea bromide

Systemtic Name: 1-(2-dodecoxy-4-methoxy-phenyl)-3-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea bromide Openeye Name: 1-(2-dodecoxy-4-methoxy-phenyl)-3-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]urea bromide CAS Name: 1-(2-dodecoxy-4-methoxyphenyl)-3-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]urea bromide IUPAC Name: 1-(2-dodecoxy-4-methoxyphenyl)-3-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea bromide Traditional Name: 1-(2-lauryloxy-4-methoxy-phenyl)-3-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]urea bromide Formula: C31H44BrN3O3S MolecularWeight: 618.66836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H43N3O3S.BrH/c1-4-5-6-7-8-9-10-11-12-13-19-37-30-21-28(36-3)17-18-29(30)33-31(35)32-27-16-14-15-26(20-27)23-34-22-25(2)38-24-34;/h14-18,20-22,24H,4-13,19,23H2,1-3H3,(H-,32,33,35);1H