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

Systemtic Name: 1-(3-hexadecoxy-4-methoxy-phenyl)-3-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea bromide Openeye Name: 1-(3-hexadecoxy-4-methoxy-phenyl)-3-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]urea bromide CAS Name: 1-(3-hexadecoxy-4-methoxyphenyl)-3-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]urea bromide IUPAC Name: 1-(3-hexadecoxy-4-methoxyphenyl)-3-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea bromide Traditional Name: 1-(3-cetyloxy-4-methoxy-phenyl)-3-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]urea bromide Formula: C35H52BrN3O3S MolecularWeight: 674.77468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)NC(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)OC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)NC(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)OC.[Br-]

InChI

InChI=1S/C35H51N3O3S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-41-34-25-32(21-22-33(34)40-3)37-35(39)36-31-20-18-19-30(24-31)27-38-26-29(2)42-28-38;/h18-22,24-26,28H,4-17,23,27H2,1-3H3,(H-,36,37,39);1H