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

Systemtic Name: 2-(3-hexadecoxy-4-methoxy-phenyl)-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide Openeye Name: 2-(3-hexadecoxy-4-methoxy-phenyl)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide CAS Name: 2-(3-hexadecoxy-4-methoxyphenyl)-N-[4-(3-thiazol-3-iumylmethyl)phenyl]acetamide IUPAC Name: 2-(3-hexadecoxy-4-methoxyphenyl)-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide Traditional Name: 2-(3-cetyloxy-4-methoxy-phenyl)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide Formula: C35H51N2O3S+ MolecularWeight: 579.85604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H50N2O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-40-34-26-31(19-22-33(34)39-2)27-35(38)36-32-20-17-30(18-21-32)28-37-23-25-41-29-37/h17-23,25-26,29H,3-16,24,27-28H2,1-2H3/p+1