N-(3-tert-butyl-4-decoxy-phenyl)-4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide

Systemtic Name: N-(3-tert-butyl-4-decoxy-phenyl)-4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide Openeye Name: N-(3-tert-butyl-4-decoxy-phenyl)-4-[(5-methylthiazol-3-ium-3-yl)methyl]benzamide bromide CAS Name: N-(3-tert-butyl-4-decoxyphenyl)-4-[(5-methyl-3-thiazol-3-iumyl)methyl]benzamide bromide IUPAC Name: N-(3-tert-butyl-4-decoxyphenyl)-4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide Traditional Name: N-(3-tert-butyl-4-decoxy-phenyl)-4-[(5-methylthiazol-3-ium-3-yl)methyl]benzamide bromide Formula: C32H45BrN2O2S MolecularWeight: 601.6809

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C[N+]3=CSC(=C3)C)C(C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C[N+]3=CSC(=C3)C)C(C)(C)C.[Br-]

InChI

InChI=1S/C32H44N2O2S.BrH/c1-6-7-8-9-10-11-12-13-20-36-30-19-18-28(21-29(30)32(3,4)5)33-31(35)27-16-14-26(15-17-27)23-34-22-25(2)37-24-34;/h14-19,21-22,24H,6-13,20,23H2,1-5H3;1H