2-(4-tert-butyl-3-dodecoxy-phenoxy)-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide bromide

Systemtic Name: 2-(4-tert-butyl-3-dodecoxy-phenoxy)-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide bromide Openeye Name: 2-(4-tert-butyl-3-dodecoxy-phenoxy)-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide CAS Name: 2-(4-tert-butyl-3-dodecoxyphenoxy)-N-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]acetamide bromide IUPAC Name: 2-(4-tert-butyl-3-dodecoxyphenoxy)-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Traditional Name: 2-(4-tert-butyl-3-lauryloxy-phenoxy)-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Formula: C35H51BrN2O3S MolecularWeight: 659.76004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=CC(=C1)OCC(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)C(C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=CC(=C1)OCC(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)C(C)(C)C.[Br-]

InChI

InChI=1S/C35H50N2O3S.BrH/c1-6-7-8-9-10-11-12-13-14-15-21-39-33-23-31(19-20-32(33)35(3,4)5)40-26-34(38)36-30-18-16-17-29(22-30)25-37-24-28(2)41-27-37;/h16-20,22-24,27H,6-15,21,25-26H2,1-5H3;1H