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

Systemtic Name: 1-(3-methoxy-2-tetradecoxy-phenyl)-3-[3-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea bromide Openeye Name: 1-(3-methoxy-2-tetradecoxy-phenyl)-3-[3-[(4-methylthiazol-3-ium-3-yl)methyl]phenyl]urea bromide CAS Name: 1-(3-methoxy-2-tetradecoxyphenyl)-3-[3-[(4-methyl-3-thiazol-3-iumyl)methyl]phenyl]urea bromide IUPAC Name: 1-(3-methoxy-2-tetradecoxyphenyl)-3-[3-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea bromide Traditional Name: 1-(3-methoxy-2-myristyloxy-phenyl)-3-[3-[(4-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=CC=C1OC)NC(=O)NC2=CC=CC(=C2)C[N+]3=CSC=C3C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1OC)NC(=O)NC2=CC=CC(=C2)C[N+]3=CSC=C3C.[Br-]

InChI

InChI=1S/C33H47N3O3S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-22-39-32-30(20-17-21-31(32)38-3)35-33(37)34-29-19-16-18-28(23-29)24-36-26-40-25-27(36)2;/h16-21,23,25-26H,4-15,22,24H2,1-3H3,(H-,34,35,37);1H