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

Systemtic Name: 2-(3-tert-butyl-2-tetradecoxy-phenoxy)-N-[2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide bromide Openeye Name: 2-(3-tert-butyl-2-tetradecoxy-phenoxy)-N-[2-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide CAS Name: 2-(3-tert-butyl-2-tetradecoxyphenoxy)-N-[2-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]acetamide bromide IUPAC Name: 2-(3-tert-butyl-2-tetradecoxyphenoxy)-N-[2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Traditional Name: 2-(3-tert-butyl-2-myristyloxy-phenoxy)-N-[2-[(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=C1OCC(=O)NC2=CC=CC=C2C[N+]3=CSC(=C3)C)C(C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1OCC(=O)NC2=CC=CC=C2C[N+]3=CSC(=C3)C)C(C)(C)C.[Br-]

InChI

InChI=1S/C37H54N2O3S.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-19-25-41-36-32(37(3,4)5)22-20-24-34(36)42-28-35(40)38-33-23-18-17-21-31(33)27-39-26-30(2)43-29-39;/h17-18,20-24,26,29H,6-16,19,25,27-28H2,1-5H3;1H