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

Systemtic Name: 2-(4-tert-butyl-3-hexadecoxy-phenyl)-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(4-tert-butyl-3-hexadecoxy-phenyl)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(4-tert-butyl-3-hexadecoxyphenyl)-N-[4-(3-thiazol-3-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(4-tert-butyl-3-hexadecoxyphenyl)-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(4-tert-butyl-3-cetyloxy-phenyl)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Formula: C38H57BrN2O2S MolecularWeight: 685.84038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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