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

Systemtic Name: 2-(4-methoxy-3-tetradecoxy-phenoxy)-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide bromide Openeye Name: 2-(4-methoxy-3-tetradecoxy-phenoxy)-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide CAS Name: 2-(4-methoxy-3-tetradecoxyphenoxy)-N-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]acetamide bromide IUPAC Name: 2-(4-methoxy-3-tetradecoxyphenoxy)-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Traditional Name: 2-(4-methoxy-3-myristyloxy-phenoxy)-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Formula: C34H49BrN2O4S MolecularWeight: 661.73286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H48N2O4S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-21-39-33-23-31(19-20-32(33)38-3)40-26-34(37)35-30-18-16-17-29(22-30)25-36-24-28(2)41-27-36;/h16-20,22-24,27H,4-15,21,25-26H2,1-3H3;1H