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

Systemtic Name: N-[2-[(3,4-dimethylpyridin-1-ium-1-yl)methyl]phenyl]-2-(3-tetradecoxyphenyl)ethanamide bromide Openeye Name: N-[2-[(3,4-dimethylpyridin-1-ium-1-yl)methyl]phenyl]-2-(3-tetradecoxyphenyl)acetamide bromide CAS Name: N-[2-[(3,4-dimethyl-1-pyridin-1-iumyl)methyl]phenyl]-2-(3-tetradecoxyphenyl)acetamide bromide IUPAC Name: N-[2-[(3,4-dimethylpyridin-1-ium-1-yl)methyl]phenyl]-2-(3-tetradecoxyphenyl)acetamide bromide Traditional Name: N-[2-[(3,4-dimethylpyridin-1-ium-1-yl)methyl]phenyl]-2-(3-myristyloxyphenyl)acetamide bromide Formula: C36H51BrN2O2 MolecularWeight: 623.70634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC(=C1)CC(=O)NC2=CC=CC=C2C[N+]3=CC(=C(C=C3)C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1)CC(=O)NC2=CC=CC=C2C[N+]3=CC(=C(C=C3)C)C.[Br-]

InChI

InChI=1S/C36H50N2O2.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-17-25-40-34-21-18-19-32(26-34)27-36(39)37-35-22-16-15-20-33(35)29-38-24-23-30(2)31(3)28-38;/h15-16,18-24,26,28H,4-14,17,25,27,29H2,1-3H3;1H