N-(3-tert-butyl-2-tetradecoxy-phenyl)-2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide

Systemtic Name: N-(3-tert-butyl-2-tetradecoxy-phenyl)-2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide Openeye Name: N-(3-tert-butyl-2-tetradecoxy-phenyl)-2-[(5-methylthiazol-3-ium-3-yl)methyl]benzamide bromide CAS Name: N-(3-tert-butyl-2-tetradecoxyphenyl)-2-[(5-methyl-3-thiazol-3-iumyl)methyl]benzamide bromide IUPAC Name: N-(3-tert-butyl-2-tetradecoxyphenyl)-2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide Traditional Name: N-(3-tert-butyl-2-myristyloxy-phenyl)-2-[(5-methylthiazol-3-ium-3-yl)methyl]benzamide bromide Formula: C36H53BrN2O2S MolecularWeight: 657.78722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1NC(=O)C2=CC=CC=C2C[N+]3=CSC(=C3)C)C(C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1NC(=O)C2=CC=CC=C2C[N+]3=CSC(=C3)C)C(C)(C)C.[Br-]

InChI

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