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

Systemtic Name: 1-[(3-methoxy-4-tetradecoxy-phenyl)methyl]-3-methyl-1-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Openeye Name: 1-[(3-methoxy-4-tetradecoxy-phenyl)methyl]-3-methyl-1-[3-(thiazol-3-ium-3-ylmethyl)phenyl]urea bromide CAS Name: 1-[(3-methoxy-4-tetradecoxyphenyl)methyl]-3-methyl-1-[3-(3-thiazol-3-iumylmethyl)phenyl]urea bromide IUPAC Name: 1-[(3-methoxy-4-tetradecoxyphenyl)methyl]-3-methyl-1-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Traditional Name: 1-(3-methoxy-4-myristyloxy-benzyl)-3-methyl-1-[3-(thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Formula: C34H50BrN3O3S MolecularWeight: 660.7481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC(=C2)C[N+]3=CSC=C3)C(=O)NC)OC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC(=C2)C[N+]3=CSC=C3)C(=O)NC)OC.[Br-]

InChI

InChI=1S/C34H49N3O3S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-22-40-32-20-19-30(25-33(32)39-3)27-37(34(38)35-2)31-18-16-17-29(24-31)26-36-21-23-41-28-36;/h16-21,23-25,28H,4-15,22,26-27H2,1-3H3;1H