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

Systemtic Name: 2-(4-tert-butyl-2-tetradecoxy-phenoxy)-N-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide Openeye Name: 2-(4-tert-butyl-2-tetradecoxy-phenoxy)-N-[2-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide CAS Name: 2-(4-tert-butyl-2-tetradecoxyphenoxy)-N-[2-(3-thiazol-3-iumylmethyl)phenyl]acetamide IUPAC Name: 2-(4-tert-butyl-2-tetradecoxyphenoxy)-N-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide Traditional Name: 2-(4-tert-butyl-2-myristyloxy-phenoxy)-N-[2-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide Formula: C36H53N2O3S+ MolecularWeight: 593.88262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(C)(C)C)OCC(=O)NC2=CC=CC=C2C[N+]3=CSC=C3

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(C)(C)C)OCC(=O)NC2=CC=CC=C2C[N+]3=CSC=C3

InChI

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