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

Systemtic Name: N-(3-tert-butyl-2-tetradecoxy-phenyl)-3-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide Openeye Name: N-(3-tert-butyl-2-tetradecoxy-phenyl)-3-[(4-methylthiazol-3-ium-3-yl)methyl]benzamide bromide CAS Name: N-(3-tert-butyl-2-tetradecoxyphenyl)-3-[(4-methyl-3-thiazol-3-iumyl)methyl]benzamide bromide IUPAC Name: N-(3-tert-butyl-2-tetradecoxyphenyl)-3-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide Traditional Name: N-(3-tert-butyl-2-myristyloxy-phenyl)-3-[(4-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=C2)C[N+]3=CSC=C3C)C(C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1NC(=O)C2=CC(=CC=C2)C[N+]3=CSC=C3C)C(C)(C)C.[Br-]

InChI

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