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

Systemtic Name: 2-(3-tert-butyl-2-tetradecoxy-phenyl)-N-[2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide bromide Openeye Name: 2-(3-tert-butyl-2-tetradecoxy-phenyl)-N-[2-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide CAS Name: 2-(3-tert-butyl-2-tetradecoxyphenyl)-N-[2-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]acetamide bromide IUPAC Name: 2-(3-tert-butyl-2-tetradecoxyphenyl)-N-[2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Traditional Name: 2-(3-tert-butyl-2-myristyloxy-phenyl)-N-[2-[(5-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=CSC(=C3)C.[Br-]

Isomeric SMILES

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

InChI

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