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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=CC(=C1)C(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)C(C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCOC1=C(C=CC(=C1)C(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)C(C)(C)C.[Br-]

InChI

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