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

Systemtic Name: 4-tert-butyl-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-2-tetradecoxy-benzamide Openeye Name: 4-tert-butyl-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]-2-tetradecoxy-benzamide CAS Name: 4-tert-butyl-N-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]-2-tetradecoxybenzamide IUPAC Name: 4-tert-butyl-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-2-tetradecoxybenzamide Traditional Name: 4-tert-butyl-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]-2-myristyloxy-benzamide Formula: C36H53N2O2S+ MolecularWeight: 577.88322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(C)(C)C)C(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(C)(C)C)C(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C

InChI

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