2-(3-ethanoyl-4-hexadecoxy-phenyl)-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-(3-ethanoyl-4-hexadecoxy-phenyl)-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide Openeye Name: 2-(3-acetyl-4-hexadecoxy-phenyl)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide CAS Name: 2-(3-acetyl-4-hexadecoxyphenyl)-N-[4-(3-thiazol-3-iumylmethyl)phenyl]acetamide IUPAC Name: 2-(3-acetyl-4-hexadecoxyphenyl)-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide Traditional Name: 2-(3-acetyl-4-cetyloxy-phenyl)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide Formula: C36H51N2O3S+ MolecularWeight: 591.86674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3)C(=O)C

InChI

InChI=1S/C36H50N2O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-41-35-22-19-32(26-34(35)30(2)39)27-36(40)37-33-20-17-31(18-21-33)28-38-23-25-42-29-38/h17-23,25-26,29H,3-16,24,27-28H2,1-2H3/p+1