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

Systemtic Name: 2-(4-tert-butyl-2-hexadecoxy-phenyl)-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide Openeye Name: 2-(4-tert-butyl-2-hexadecoxy-phenyl)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide CAS Name: 2-(4-tert-butyl-2-hexadecoxyphenyl)-N-[4-(3-thiazol-3-iumylmethyl)phenyl]acetamide IUPAC Name: 2-(4-tert-butyl-2-hexadecoxyphenyl)-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide Traditional Name: 2-(4-tert-butyl-2-cetyloxy-phenyl)-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H56N2O2S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-42-36-29-34(38(2,3)4)22-21-33(36)28-37(41)39-35-23-19-32(20-24-35)30-40-25-27-43-31-40/h19-25,27,29,31H,5-18,26,28,30H2,1-4H3/p+1