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

Systemtic Name: N-(4-tert-butyl-2-tetradecoxy-phenyl)-4-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide Openeye Name: N-(4-tert-butyl-2-tetradecoxy-phenyl)-4-[(4-methylthiazol-3-ium-3-yl)methyl]benzamide bromide CAS Name: N-(4-tert-butyl-2-tetradecoxyphenyl)-4-[(4-methyl-3-thiazol-3-iumyl)methyl]benzamide bromide IUPAC Name: N-(4-tert-butyl-2-tetradecoxyphenyl)-4-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide Traditional Name: N-(4-tert-butyl-2-myristyloxy-phenyl)-4-[(4-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)C(C)(C)C)NC(=O)C2=CC=C(C=C2)C[N+]3=CSC=C3C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(C)(C)C)NC(=O)C2=CC=C(C=C2)C[N+]3=CSC=C3C.[Br-]

InChI

InChI=1S/C36H52N2O2S.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-17-24-40-34-25-32(36(3,4)5)22-23-33(34)37-35(39)31-20-18-30(19-21-31)26-38-28-41-27-29(38)2;/h18-23,25,27-28H,6-17,24,26H2,1-5H3;1H