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

Systemtic Name: 2-(3-ethanoyl-2-hexadecoxy-phenoxy)-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(3-acetyl-2-hexadecoxy-phenoxy)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(3-acetyl-2-hexadecoxyphenoxy)-N-[4-(3-thiazol-3-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(3-acetyl-2-hexadecoxyphenoxy)-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(3-acetyl-2-cetyloxy-phenoxy)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Formula: C36H51BrN2O4S MolecularWeight: 687.77014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=CC=C1OCC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3)C(=O)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=CC=C1OCC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3)C(=O)C.[Br-]

InChI

InChI=1S/C36H50N2O4S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-41-36-33(30(2)39)18-17-19-34(36)42-28-35(40)37-32-22-20-31(21-23-32)27-38-24-26-43-29-38;/h17-24,26,29H,3-16,25,27-28H2,1-2H3;1H