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

Systemtic Name: 2-(3-ethanoyl-4-tetradecoxy-phenyl)-N-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(3-acetyl-4-tetradecoxy-phenyl)-N-[3-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(3-acetyl-4-tetradecoxyphenyl)-N-[3-(3-thiazol-3-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(3-acetyl-4-tetradecoxyphenyl)-N-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(3-acetyl-4-myristyloxy-phenyl)-N-[3-(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=C(C=C1)CC(=O)NC2=CC=CC(=C2)C[N+]3=CSC=C3)C(=O)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NC2=CC=CC(=C2)C[N+]3=CSC=C3)C(=O)C.[Br-]

InChI

InChI=1S/C34H46N2O3S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-39-33-19-18-29(24-32(33)28(2)37)25-34(38)35-31-17-15-16-30(23-31)26-36-20-22-40-27-36;/h15-20,22-24,27H,3-14,21,25-26H2,1-2H3;1H