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

Systemtic Name: 2-(4-tert-butyl-2-tetradecoxy-phenoxy)-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide bromide Openeye Name: 2-(4-tert-butyl-2-tetradecoxy-phenoxy)-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide CAS Name: 2-(4-tert-butyl-2-tetradecoxyphenoxy)-N-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]acetamide bromide IUPAC Name: 2-(4-tert-butyl-2-tetradecoxyphenoxy)-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Traditional Name: 2-(4-tert-butyl-2-myristyloxy-phenoxy)-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Formula: C37H55BrN2O3S MolecularWeight: 687.8132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(C)(C)C)OCC(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(C)(C)C)OCC(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C.[Br-]

InChI

InChI=1S/C37H54N2O3S.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-17-23-41-35-25-32(37(3,4)5)21-22-34(35)42-28-36(40)38-33-20-18-19-31(24-33)27-39-26-30(2)43-29-39;/h18-22,24-26,29H,6-17,23,27-28H2,1-5H3;1H