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

Systemtic Name: N-[2-(4-hexadecoxyphenyl)ethyl]-N-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide Openeye Name: N-[2-(4-hexadecoxyphenyl)ethyl]-N-[3-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide CAS Name: N-[2-(4-hexadecoxyphenyl)ethyl]-N-[3-(3-thiazol-3-iumylmethyl)phenyl]acetamide IUPAC Name: N-[2-(4-hexadecoxyphenyl)ethyl]-N-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide Traditional Name: N-[2-(4-cetyloxyphenyl)ethyl]-N-[3-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide Formula: C36H53N2O2S+ MolecularWeight: 577.88322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H53N2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-40-36-22-20-33(21-23-36)24-25-38(32(2)39)35-19-17-18-34(29-35)30-37-26-28-41-31-37/h17-23,26,28-29,31H,3-16,24-25,27,30H2,1-2H3/q+1