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

Systemtic Name: N-[2-[(3,4-dimethylpyridin-1-ium-1-yl)methyl]phenyl]-2-(2-hexadecoxyphenyl)ethanamide bromide Openeye Name: N-[2-[(3,4-dimethylpyridin-1-ium-1-yl)methyl]phenyl]-2-(2-hexadecoxyphenyl)acetamide bromide CAS Name: N-[2-[(3,4-dimethyl-1-pyridin-1-iumyl)methyl]phenyl]-2-(2-hexadecoxyphenyl)acetamide bromide IUPAC Name: N-[2-[(3,4-dimethylpyridin-1-ium-1-yl)methyl]phenyl]-2-(2-hexadecoxyphenyl)acetamide bromide Traditional Name: 2-(2-cetyloxyphenyl)-N-[2-[(3,4-dimethylpyridin-1-ium-1-yl)methyl]phenyl]acetamide bromide Formula: C38H55BrN2O2 MolecularWeight: 651.7595

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=CC=C1CC(=O)NC2=CC=CC=C2C[N+]3=CC(=C(C=C3)C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=CC=C1CC(=O)NC2=CC=CC=C2C[N+]3=CC(=C(C=C3)C)C.[Br-]

InChI

InChI=1S/C38H54N2O2.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-42-37-25-20-18-22-34(37)29-38(41)39-36-24-19-17-23-35(36)31-40-27-26-32(2)33(3)30-40;/h17-20,22-27,30H,4-16,21,28-29,31H2,1-3H3;1H