2-(3-tetradecoxyphenyl)-N-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide bromide

Systemtic Name: 2-(3-tetradecoxyphenyl)-N-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(3-tetradecoxyphenyl)-N-[3-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(3-tetradecoxyphenyl)-N-[3-(3-thiazol-3-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(3-tetradecoxyphenyl)-N-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(3-myristyloxyphenyl)-N-[3-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Formula: C32H45BrN2O2S MolecularWeight: 601.6809

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H44N2O2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-21-36-31-19-15-16-28(24-31)25-32(35)33-30-18-14-17-29(23-30)26-34-20-22-37-27-34;/h14-20,22-24,27H,2-13,21,25-26H2,1H3;1H