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

Systemtic Name: 3-tert-butyl-N-[3-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-2-tetradecoxy-benzamide bromide Openeye Name: 3-tert-butyl-N-[3-[(4-methylthiazol-3-ium-3-yl)methyl]phenyl]-2-tetradecoxy-benzamide bromide CAS Name: 3-tert-butyl-N-[3-[(4-methyl-3-thiazol-3-iumyl)methyl]phenyl]-2-tetradecoxybenzamide bromide IUPAC Name: 3-tert-butyl-N-[3-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-2-tetradecoxybenzamide bromide Traditional Name: 3-tert-butyl-N-[3-[(4-methylthiazol-3-ium-3-yl)methyl]phenyl]-2-myristyloxy-benzamide bromide Formula: C36H53BrN2O2S MolecularWeight: 657.78722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(C)(C)C)C(=O)NC2=CC=CC(=C2)C[N+]3=CSC=C3C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(C)(C)C)C(=O)NC2=CC=CC(=C2)C[N+]3=CSC=C3C.[Br-]

InChI

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