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

Systemtic Name: 2-(3-ethanoyl-2-tetradecoxy-phenoxy)-N-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide bromide Openeye Name: 2-(3-acetyl-2-tetradecoxy-phenoxy)-N-[4-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide CAS Name: 2-(3-acetyl-2-tetradecoxyphenoxy)-N-[4-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]acetamide bromide IUPAC Name: 2-(3-acetyl-2-tetradecoxyphenoxy)-N-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Traditional Name: 2-(3-acetyl-2-myristyloxy-phenoxy)-N-[4-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Formula: C35H49BrN2O4S MolecularWeight: 673.74356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1OCC(=O)NC2=CC=C(C=C2)C[N+]3=CSC(=C3)C)C(=O)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1OCC(=O)NC2=CC=C(C=C2)C[N+]3=CSC(=C3)C)C(=O)C.[Br-]

InChI

InChI=1S/C35H48N2O4S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-23-40-35-32(29(3)38)17-16-18-33(35)41-26-34(39)36-31-21-19-30(20-22-31)25-37-24-28(2)42-27-37;/h16-22,24,27H,4-15,23,25-26H2,1-3H3;1H