2-(4-tert-butyl-2-tetradecoxy-phenyl)-N-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide bromide

Systemtic Name: 2-(4-tert-butyl-2-tetradecoxy-phenyl)-N-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide bromide Openeye Name: 2-(4-tert-butyl-2-tetradecoxy-phenyl)-N-[4-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide CAS Name: 2-(4-tert-butyl-2-tetradecoxyphenyl)-N-[4-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]acetamide bromide IUPAC Name: 2-(4-tert-butyl-2-tetradecoxyphenyl)-N-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Traditional Name: 2-(4-tert-butyl-2-myristyloxy-phenyl)-N-[4-[(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(=C1)C(C)(C)C)CC(=O)NC2=CC=C(C=C2)C[N+]3=CSC(=C3)C.[Br-]

Isomeric SMILES

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

InChI

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