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

Systemtic Name: 2-(4-tert-butyl-3-dodecoxy-phenyl)-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide bromide Openeye Name: 2-(4-tert-butyl-3-dodecoxy-phenyl)-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide CAS Name: 2-(4-tert-butyl-3-dodecoxyphenyl)-N-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]acetamide bromide IUPAC Name: 2-(4-tert-butyl-3-dodecoxyphenyl)-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Traditional Name: 2-(4-tert-butyl-3-lauryloxy-phenyl)-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Formula: C35H51BrN2O2S MolecularWeight: 643.76064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=CC(=C1)CC(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)C(C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=CC(=C1)CC(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)C(C)(C)C.[Br-]

InChI

InChI=1S/C35H50N2O2S.BrH/c1-6-7-8-9-10-11-12-13-14-15-21-39-33-23-29(19-20-32(33)35(3,4)5)24-34(38)36-31-18-16-17-30(22-31)26-37-25-28(2)40-27-37;/h16-20,22-23,25,27H,6-15,21,24,26H2,1-5H3;1H