N-(3-tert-butyl-2-tetradecoxy-phenyl)-4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide

Systemtic Name: N-(3-tert-butyl-2-tetradecoxy-phenyl)-4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide Openeye Name: N-(3-tert-butyl-2-tetradecoxy-phenyl)-4-[(5-methylthiazol-3-ium-3-yl)methyl]benzamide bromide CAS Name: N-(3-tert-butyl-2-tetradecoxyphenyl)-4-[(5-methyl-3-thiazol-3-iumyl)methyl]benzamide bromide IUPAC Name: N-(3-tert-butyl-2-tetradecoxyphenyl)-4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide Traditional Name: N-(3-tert-butyl-2-myristyloxy-phenyl)-4-[(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=C(C=C2)C[N+]3=CSC(=C3)C)C(C)(C)C.[Br-]

Isomeric SMILES

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

InChI

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