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

Systemtic Name: 2-(4-methoxy-3-tetradecoxy-phenoxy)-N-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(4-methoxy-3-tetradecoxy-phenoxy)-N-[3-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(4-methoxy-3-tetradecoxyphenoxy)-N-[3-(3-thiazol-3-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(4-methoxy-3-tetradecoxyphenoxy)-N-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(4-methoxy-3-myristyloxy-phenoxy)-N-[3-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Formula: C33H47BrN2O4S MolecularWeight: 647.70628

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)OC.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C33H46N2O4S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-38-32-24-30(18-19-31(32)37-2)39-26-33(36)34-29-17-15-16-28(23-29)25-35-20-22-40-27-35;/h15-20,22-24,27H,3-14,21,25-26H2,1-2H3;1H