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

Systemtic Name: 2-(3-tert-butyl-2-tetradecoxy-phenyl)-N-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(3-tert-butyl-2-tetradecoxy-phenyl)-N-[3-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(3-tert-butyl-2-tetradecoxyphenyl)-N-[3-(3-thiazol-3-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(3-tert-butyl-2-tetradecoxyphenyl)-N-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(3-tert-butyl-2-myristyloxy-phenyl)-N-[3-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Formula: C36H53BrN2O2S MolecularWeight: 657.78722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(C)(C)C)CC(=O)NC2=CC=CC(=C2)C[N+]3=CSC=C3.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(C)(C)C)CC(=O)NC2=CC=CC(=C2)C[N+]3=CSC=C3.[Br-]

InChI

InChI=1S/C36H52N2O2S.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-24-40-35-31(20-18-22-33(35)36(2,3)4)27-34(39)37-32-21-17-19-30(26-32)28-38-23-25-41-29-38;/h17-23,25-26,29H,5-16,24,27-28H2,1-4H3;1H