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

Systemtic Name: 2-(4-tert-butyl-3-tetradecoxy-phenyl)-N-[3-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide bromide Openeye Name: 2-(4-tert-butyl-3-tetradecoxy-phenyl)-N-[3-[(4-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide CAS Name: 2-(4-tert-butyl-3-tetradecoxyphenyl)-N-[3-[(4-methyl-3-thiazol-3-iumyl)methyl]phenyl]acetamide bromide IUPAC Name: 2-(4-tert-butyl-3-tetradecoxyphenyl)-N-[3-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Traditional Name: 2-(4-tert-butyl-3-myristyloxy-phenyl)-N-[3-[(4-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Formula: C37H55BrN2O2S MolecularWeight: 671.8138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)CC(=O)NC2=CC=CC(=C2)C[N+]3=CSC=C3C)C(C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)CC(=O)NC2=CC=CC(=C2)C[N+]3=CSC=C3C)C(C)(C)C.[Br-]

InChI

InChI=1S/C37H54N2O2S.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-17-23-41-35-25-31(21-22-34(35)37(3,4)5)26-36(40)38-33-20-18-19-32(24-33)27-39-29-42-28-30(39)2;/h18-22,24-25,28-29H,6-17,23,26-27H2,1-5H3;1H