N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-2-(4-tetradecoxyphenoxy)ethanamide bromide

Systemtic Name: N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-2-(4-tetradecoxyphenoxy)ethanamide bromide Openeye Name: N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]-2-(4-tetradecoxyphenoxy)acetamide bromide CAS Name: N-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]-2-(4-tetradecoxyphenoxy)acetamide bromide IUPAC Name: N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-2-(4-tetradecoxyphenoxy)acetamide bromide Traditional Name: N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]-2-(4-myristyloxyphenoxy)acetamide bromide Formula: C33H47BrN2O3S MolecularWeight: 631.70688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H46N2O3S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-22-37-31-18-20-32(21-19-31)38-26-33(36)34-30-17-15-16-29(23-30)25-35-24-28(2)39-27-35;/h15-21,23-24,27H,3-14,22,25-26H2,1-2H3;1H