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

Systemtic Name: 2-(3-tert-butyl-4-tetradecoxy-phenyl)-N-[3-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide bromide Openeye Name: 2-(3-tert-butyl-4-tetradecoxy-phenyl)-N-[3-[(2-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide CAS Name: 2-(3-tert-butyl-4-tetradecoxyphenyl)-N-[3-[(2-methyl-3-thiazol-3-iumyl)methyl]phenyl]acetamide bromide IUPAC Name: 2-(3-tert-butyl-4-tetradecoxyphenyl)-N-[3-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Traditional Name: 2-(3-tert-butyl-4-myristyloxy-phenyl)-N-[3-[(2-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=C(C=C1)CC(=O)NC2=CC=CC(=C2)C[N+]3=C(SC=C3)C)C(C)(C)C.[Br-]

Isomeric SMILES

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

InChI

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