4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]-N-(4-tetradecoxyphenyl)benzamide bromide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H44N2O2S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-23-36-31-21-19-30(20-22-31)33-32(35)29-17-15-28(16-18-29)25-34-24-27(2)37-26-34;/h15-22,24,26H,3-14,23,25H2,1-2H3;1H