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

Systemtic Name: N-[4-[(3,4-dimethylpyridin-1-ium-1-yl)methyl]phenyl]-2-(3-ethanoyl-4-hexadecoxy-phenyl)ethanamide bromide Openeye Name: 2-(3-acetyl-4-hexadecoxy-phenyl)-N-[4-[(3,4-dimethylpyridin-1-ium-1-yl)methyl]phenyl]acetamide bromide CAS Name: 2-(3-acetyl-4-hexadecoxyphenyl)-N-[4-[(3,4-dimethyl-1-pyridin-1-iumyl)methyl]phenyl]acetamide bromide IUPAC Name: 2-(3-acetyl-4-hexadecoxyphenyl)-N-[4-[(3,4-dimethylpyridin-1-ium-1-yl)methyl]phenyl]acetamide bromide Traditional Name: 2-(3-acetyl-4-cetyloxy-phenyl)-N-[4-[(3,4-dimethylpyridin-1-ium-1-yl)methyl]phenyl]acetamide bromide Formula: C40H57BrN2O3 MolecularWeight: 693.79618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=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

CCCCCCCCCCCCCCCCOC1=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/C40H56N2O3.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-45-39-24-21-36(28-38(39)34(4)43)29-40(44)41-37-22-19-35(20-23-37)31-42-26-25-32(2)33(3)30-42;/h19-26,28,30H,5-18,27,29,31H2,1-4H3;1H