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

Systemtic Name: N-(4-tert-butyl-3-tetradecoxy-phenyl)-2-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide Openeye Name: N-(4-tert-butyl-3-tetradecoxy-phenyl)-2-[(2-methylthiazol-3-ium-3-yl)methyl]benzamide bromide CAS Name: N-(4-tert-butyl-3-tetradecoxyphenyl)-2-[(2-methyl-3-thiazol-3-iumyl)methyl]benzamide bromide IUPAC Name: N-(4-tert-butyl-3-tetradecoxyphenyl)-2-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide Traditional Name: N-(4-tert-butyl-3-myristyloxy-phenyl)-2-[(2-methylthiazol-3-ium-3-yl)methyl]benzamide bromide Formula: C36H53BrN2O2S MolecularWeight: 657.78722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2C[N+]3=C(SC=C3)C)C(C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2C[N+]3=C(SC=C3)C)C(C)(C)C.[Br-]

InChI

InChI=1S/C36H52N2O2S.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-19-25-40-34-27-31(22-23-33(34)36(3,4)5)37-35(39)32-21-18-17-20-30(32)28-38-24-26-41-29(38)2;/h17-18,20-24,26-27H,6-16,19,25,28H2,1-5H3;1H