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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(=O)NC2=CC=CC(=C2)C[N+]3=C(SC=C3)C)C(C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(=O)NC2=CC=CC(=C2)C[N+]3=C(SC=C3)C)C(C)(C)C.[Br-]

InChI

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