2-(4-tert-butyl-3-tetradecoxy-phenoxy)-N-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide bromide

Systemtic Name: 2-(4-tert-butyl-3-tetradecoxy-phenoxy)-N-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide bromide Openeye Name: 2-(4-tert-butyl-3-tetradecoxy-phenoxy)-N-[4-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide CAS Name: 2-(4-tert-butyl-3-tetradecoxyphenoxy)-N-[4-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]acetamide bromide IUPAC Name: 2-(4-tert-butyl-3-tetradecoxyphenoxy)-N-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Traditional Name: 2-(4-tert-butyl-3-myristyloxy-phenoxy)-N-[4-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Formula: C37H55BrN2O3S MolecularWeight: 687.8132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H54N2O3S.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-17-24-41-35-25-33(22-23-34(35)37(3,4)5)42-28-36(40)38-32-20-18-31(19-21-32)27-39-26-30(2)43-29-39;/h18-23,25-26,29H,6-17,24,27-28H2,1-5H3;1H