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

Systemtic Name: 2-(4-hexadecoxyphenoxy)-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(4-hexadecoxyphenoxy)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(4-hexadecoxyphenoxy)-N-[4-(3-thiazol-3-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(4-hexadecoxyphenoxy)-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(4-cetyloxyphenoxy)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Formula: C34H49BrN2O3S MolecularWeight: 645.73346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H48N2O3S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25-38-32-20-22-33(23-21-32)39-28-34(37)35-31-18-16-30(17-19-31)27-36-24-26-40-29-36;/h16-24,26,29H,2-15,25,27-28H2,1H3;1H