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

Systemtic Name: 2-(4-tert-butyl-2-tetradecoxy-phenyl)-N-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(4-tert-butyl-2-tetradecoxy-phenyl)-N-[2-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(4-tert-butyl-2-tetradecoxyphenyl)-N-[2-(3-thiazol-3-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(4-tert-butyl-2-tetradecoxyphenyl)-N-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(4-tert-butyl-2-myristyloxy-phenyl)-N-[2-(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(=C1)C(C)(C)C)CC(=O)NC2=CC=CC=C2C[N+]3=CSC=C3.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C36H52N2O2S.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-18-24-40-34-27-32(36(2,3)4)22-21-30(34)26-35(39)37-33-20-17-16-19-31(33)28-38-23-25-41-29-38;/h16-17,19-23,25,27,29H,5-15,18,24,26,28H2,1-4H3;1H