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

Systemtic Name: 2-(3-tert-butyl-2-tetradecoxy-phenyl)-N-[2-[(3,4-dimethylpyridin-1-ium-1-yl)methyl]phenyl]ethanamide bromide Openeye Name: 2-(3-tert-butyl-2-tetradecoxy-phenyl)-N-[2-[(3,4-dimethylpyridin-1-ium-1-yl)methyl]phenyl]acetamide bromide CAS Name: 2-(3-tert-butyl-2-tetradecoxyphenyl)-N-[2-[(3,4-dimethyl-1-pyridin-1-iumyl)methyl]phenyl]acetamide bromide IUPAC Name: 2-(3-tert-butyl-2-tetradecoxyphenyl)-N-[2-[(3,4-dimethylpyridin-1-ium-1-yl)methyl]phenyl]acetamide bromide Traditional Name: 2-(3-tert-butyl-2-myristyloxy-phenyl)-N-[2-[(3,4-dimethylpyridin-1-ium-1-yl)methyl]phenyl]acetamide bromide Formula: C40H59BrN2O2 MolecularWeight: 679.81266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(C)(C)C)CC(=O)NC2=CC=CC=C2C[N+]3=CC(=C(C=C3)C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(C)(C)C)CC(=O)NC2=CC=CC=C2C[N+]3=CC(=C(C=C3)C)C.[Br-]

InChI

InChI=1S/C40H58N2O2.BrH/c1-7-8-9-10-11-12-13-14-15-16-17-20-28-44-39-34(23-21-24-36(39)40(4,5)6)29-38(43)41-37-25-19-18-22-35(37)31-42-27-26-32(2)33(3)30-42;/h18-19,21-27,30H,7-17,20,28-29,31H2,1-6H3;1H