3-methyl-1-[(3-tetradecoxyphenyl)methyl]-1-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide

Systemtic Name: 3-methyl-1-[(3-tetradecoxyphenyl)methyl]-1-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Openeye Name: 3-methyl-1-[(3-tetradecoxyphenyl)methyl]-1-[3-(thiazol-3-ium-3-ylmethyl)phenyl]urea bromide CAS Name: 3-methyl-1-[(3-tetradecoxyphenyl)methyl]-1-[3-(3-thiazol-3-iumylmethyl)phenyl]urea bromide IUPAC Name: 3-methyl-1-[(3-tetradecoxyphenyl)methyl]-1-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Traditional Name: 3-methyl-1-(3-myristyloxybenzyl)-1-[3-(thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Formula: C33H48BrN3O2S MolecularWeight: 630.72212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H47N3O2S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-22-38-32-20-16-18-30(25-32)27-36(33(37)34-2)31-19-15-17-29(24-31)26-35-21-23-39-28-35;/h15-21,23-25,28H,3-14,22,26-27H2,1-2H3;1H