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

Systemtic Name: 2-(3-ethanoyl-2-tetradecoxy-phenyl)-N-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(3-acetyl-2-tetradecoxy-phenyl)-N-[2-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(3-acetyl-2-tetradecoxyphenyl)-N-[2-(3-thiazol-3-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(3-acetyl-2-tetradecoxyphenyl)-N-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(3-acetyl-2-myristyloxy-phenyl)-N-[2-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Formula: C34H47BrN2O3S MolecularWeight: 643.71758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1CC(=O)NC2=CC=CC=C2C[N+]3=CSC=C3)C(=O)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1CC(=O)NC2=CC=CC=C2C[N+]3=CSC=C3)C(=O)C.[Br-]

InChI

InChI=1S/C34H46N2O3S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-16-23-39-34-29(19-17-20-31(34)28(2)37)25-33(38)35-32-21-15-14-18-30(32)26-36-22-24-40-27-36;/h14-15,17-22,24,27H,3-13,16,23,25-26H2,1-2H3;1H