N-[4-[(3,4-dimethylpyridin-1-ium-1-yl)methyl]phenyl]-2-(3-ethanoyl-4-tetradecoxy-phenyl)ethanamide bromide

Systemtic Name: N-[4-[(3,4-dimethylpyridin-1-ium-1-yl)methyl]phenyl]-2-(3-ethanoyl-4-tetradecoxy-phenyl)ethanamide bromide Openeye Name: 2-(3-acetyl-4-tetradecoxy-phenyl)-N-[4-[(3,4-dimethylpyridin-1-ium-1-yl)methyl]phenyl]acetamide bromide CAS Name: 2-(3-acetyl-4-tetradecoxyphenyl)-N-[4-[(3,4-dimethyl-1-pyridin-1-iumyl)methyl]phenyl]acetamide bromide IUPAC Name: 2-(3-acetyl-4-tetradecoxyphenyl)-N-[4-[(3,4-dimethylpyridin-1-ium-1-yl)methyl]phenyl]acetamide bromide Traditional Name: 2-(3-acetyl-4-myristyloxy-phenyl)-N-[4-[(3,4-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=C(C=C1)CC(=O)NC2=CC=C(C=C2)C[N+]3=CC(=C(C=C3)C)C)C(=O)C.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C38H52N2O3.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-25-43-37-22-19-34(26-36(37)32(4)41)27-38(42)39-35-20-17-33(18-21-35)29-40-24-23-30(2)31(3)28-40;/h17-24,26,28H,5-16,25,27,29H2,1-4H3;1H