N-[2-[(3,5-dimethylpyridin-1-ium-1-yl)methyl]phenyl]-2-(3-ethanoyl-2-tetradecoxy-phenyl)ethanamide bromide

Systemtic Name: N-[2-[(3,5-dimethylpyridin-1-ium-1-yl)methyl]phenyl]-2-(3-ethanoyl-2-tetradecoxy-phenyl)ethanamide bromide Openeye Name: 2-(3-acetyl-2-tetradecoxy-phenyl)-N-[2-[(3,5-dimethylpyridin-1-ium-1-yl)methyl]phenyl]acetamide bromide CAS Name: 2-(3-acetyl-2-tetradecoxyphenyl)-N-[2-[(3,5-dimethyl-1-pyridin-1-iumyl)methyl]phenyl]acetamide bromide IUPAC Name: 2-(3-acetyl-2-tetradecoxyphenyl)-N-[2-[(3,5-dimethylpyridin-1-ium-1-yl)methyl]phenyl]acetamide bromide Traditional Name: 2-(3-acetyl-2-myristyloxy-phenyl)-N-[2-[(3,5-dimethylpyridin-1-ium-1-yl)methyl]phenyl]acetamide bromide Formula: C38H53BrN2O3 MolecularWeight: 665.74302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H52N2O3.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-18-24-43-38-33(21-19-22-35(38)32(4)41)26-37(42)39-36-23-17-16-20-34(36)29-40-27-30(2)25-31(3)28-40;/h16-17,19-23,25,27-28H,5-15,18,24,26,29H2,1-4H3;1H