N-[2-(4-tert-butyl-3-tetradecoxy-phenyl)ethyl]-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide

Systemtic Name: N-[2-(4-tert-butyl-3-tetradecoxy-phenyl)ethyl]-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide Openeye Name: N-[2-(4-tert-butyl-3-tetradecoxy-phenyl)ethyl]-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide CAS Name: N-[2-(4-tert-butyl-3-tetradecoxyphenyl)ethyl]-N-[4-(3-thiazol-3-iumylmethyl)phenyl]acetamide IUPAC Name: N-[2-(4-tert-butyl-3-tetradecoxyphenyl)ethyl]-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide Traditional Name: N-[2-(4-tert-butyl-3-myristyloxy-phenyl)ethyl]-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide Formula: C38H57N2O2S+ MolecularWeight: 605.93638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H57N2O2S/c1-6-7-8-9-10-11-12-13-14-15-16-17-27-42-37-29-33(20-23-36(37)38(3,4)5)24-25-40(32(2)41)35-21-18-34(19-22-35)30-39-26-28-43-31-39/h18-23,26,28-29,31H,6-17,24-25,27,30H2,1-5H3/q+1