1-[3-[(3,4-dimethylpyridin-1-ium-1-yl)methyl]-2-[(4-tetradecoxyphenyl)methylamino]phenyl]ethanone

Systemtic Name: 1-[3-[(3,4-dimethylpyridin-1-ium-1-yl)methyl]-2-[(4-tetradecoxyphenyl)methylamino]phenyl]ethanone Openeye Name: 1-[3-[(3,4-dimethylpyridin-1-ium-1-yl)methyl]-2-[(4-tetradecoxyphenyl)methylamino]phenyl]ethanone CAS Name: 1-[3-[(3,4-dimethyl-1-pyridin-1-iumyl)methyl]-2-[(4-tetradecoxyphenyl)methylamino]phenyl]ethanone IUPAC Name: 1-[3-[(3,4-dimethylpyridin-1-ium-1-yl)methyl]-2-[(4-tetradecoxyphenyl)methylamino]phenyl]ethanone Traditional Name: 1-[3-[(3,4-dimethylpyridin-1-ium-1-yl)methyl]-2-[(4-myristyloxybenzyl)amino]phenyl]ethanone Formula: C37H53N2O2+ MolecularWeight: 557.82892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)CNC2=C(C=CC=C2C[N+]3=CC(=C(C=C3)C)C)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)CNC2=C(C=CC=C2C[N+]3=CC(=C(C=C3)C)C)C(=O)C

InChI

InChI=1S/C37H52N2O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-26-41-35-22-20-33(21-23-35)27-38-37-34(18-17-19-36(37)32(4)40)29-39-25-24-30(2)31(3)28-39/h17-25,28H,5-16,26-27,29H2,1-4H3/p+1