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

Systemtic Name: 1-(3-methoxy-4-tetradecoxy-phenyl)-3-[2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea bromide Openeye Name: 1-(3-methoxy-4-tetradecoxy-phenyl)-3-[2-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]urea bromide CAS Name: 1-(3-methoxy-4-tetradecoxyphenyl)-3-[2-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]urea bromide IUPAC Name: 1-(3-methoxy-4-tetradecoxyphenyl)-3-[2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea bromide Traditional Name: 1-(3-methoxy-4-myristyloxy-phenyl)-3-[2-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]urea bromide Formula: C33H48BrN3O3S MolecularWeight: 646.72152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)NC(=O)NC2=CC=CC=C2C[N+]3=CSC(=C3)C)OC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)NC(=O)NC2=CC=CC=C2C[N+]3=CSC(=C3)C)OC.[Br-]

InChI

InChI=1S/C33H47N3O3S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-17-22-39-31-21-20-29(23-32(31)38-3)34-33(37)35-30-19-16-15-18-28(30)25-36-24-27(2)40-26-36;/h15-16,18-21,23-24,26H,4-14,17,22,25H2,1-3H3,(H-,34,35,37);1H