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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1OCC(=O)NC2=CC=CC=C2C[N+]3=CSC=C3)C(C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1OCC(=O)NC2=CC=CC=C2C[N+]3=CSC=C3)C(C)(C)C.[Br-]

InChI

InChI=1S/C36H52N2O3S.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-18-25-40-35-31(36(2,3)4)21-19-23-33(35)41-28-34(39)37-32-22-17-16-20-30(32)27-38-24-26-42-29-38;/h16-17,19-24,26,29H,5-15,18,25,27-28H2,1-4H3;1H