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

Systemtic Name: 2-(4-tert-butyl-3-tetradecoxy-phenoxy)-N-[2-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide bromide Openeye Name: 2-(4-tert-butyl-3-tetradecoxy-phenoxy)-N-[2-[(2-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide CAS Name: 2-(4-tert-butyl-3-tetradecoxyphenoxy)-N-[2-[(2-methyl-3-thiazol-3-iumyl)methyl]phenyl]acetamide bromide IUPAC Name: 2-(4-tert-butyl-3-tetradecoxyphenoxy)-N-[2-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Traditional Name: 2-(4-tert-butyl-3-myristyloxy-phenoxy)-N-[2-[(2-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=CC=C2C[N+]3=C(SC=C3)C)C(C)(C)C.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C37H54N2O3S.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-19-25-41-35-27-32(22-23-33(35)37(3,4)5)42-29-36(40)38-34-21-18-17-20-31(34)28-39-24-26-43-30(39)2;/h17-18,20-24,26-27H,6-16,19,25,28-29H2,1-5H3;1H