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

Systemtic Name: 2-(3-ethanoyl-2-tetradecoxy-phenoxy)-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(3-acetyl-2-tetradecoxy-phenoxy)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(3-acetyl-2-tetradecoxyphenoxy)-N-[4-(3-thiazol-3-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(3-acetyl-2-tetradecoxyphenoxy)-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(3-acetyl-2-myristyloxy-phenoxy)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Formula: C34H47BrN2O4S MolecularWeight: 659.71698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1OCC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3)C(=O)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1OCC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3)C(=O)C.[Br-]

InChI

InChI=1S/C34H46N2O4S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-23-39-34-31(28(2)37)16-15-17-32(34)40-26-33(38)35-30-20-18-29(19-21-30)25-36-22-24-41-27-36;/h15-22,24,27H,3-14,23,25-26H2,1-2H3;1H