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

Systemtic Name: 2-(3-tert-butyl-2-tetradecoxy-phenyl)-N-[2-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide bromide Openeye Name: 2-(3-tert-butyl-2-tetradecoxy-phenyl)-N-[2-[(2-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide CAS Name: 2-(3-tert-butyl-2-tetradecoxyphenyl)-N-[2-[(2-methyl-3-thiazol-3-iumyl)methyl]phenyl]acetamide bromide IUPAC Name: 2-(3-tert-butyl-2-tetradecoxyphenyl)-N-[2-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Traditional Name: 2-(3-tert-butyl-2-myristyloxy-phenyl)-N-[2-[(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=CC=C1C(C)(C)C)CC(=O)NC2=CC=CC=C2C[N+]3=C(SC=C3)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(C)(C)C)CC(=O)NC2=CC=CC=C2C[N+]3=C(SC=C3)C.[Br-]

InChI

InChI=1S/C37H54N2O2S.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-19-26-41-36-31(22-20-23-33(36)37(3,4)5)28-35(40)38-34-24-18-17-21-32(34)29-39-25-27-42-30(39)2;/h17-18,20-25,27H,6-16,19,26,28-29H2,1-5H3;1H