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

Systemtic Name: 2-(3-tert-butyl-4-tetradecoxy-phenoxy)-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(3-tert-butyl-4-tetradecoxy-phenoxy)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(3-tert-butyl-4-tetradecoxyphenoxy)-N-[4-(3-thiazol-3-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(3-tert-butyl-4-tetradecoxyphenoxy)-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(3-tert-butyl-4-myristyloxy-phenoxy)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Formula: C36H53BrN2O3S MolecularWeight: 673.78662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H52N2O3S.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-24-40-34-22-21-32(26-33(34)36(2,3)4)41-28-35(39)37-31-19-17-30(18-20-31)27-38-23-25-42-29-38;/h17-23,25-26,29H,5-16,24,27-28H2,1-4H3;1H