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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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