N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-[(2-methyl-3-tetradecoxy-phenyl)methyl]ethanamide iodide

Systemtic Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-[(2-methyl-3-tetradecoxy-phenyl)methyl]ethanamide iodide Openeye Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-[(2-methyl-3-tetradecoxy-phenyl)methyl]acetamide iodide CAS Name: N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-N-[(2-methyl-3-tetradecoxyphenyl)methyl]acetamide iodide IUPAC Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-[(2-methyl-3-tetradecoxyphenyl)methyl]acetamide iodide Traditional Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-(2-methyl-3-myristyloxy-benzyl)acetamide iodide Formula: C32H51IN2O2 MolecularWeight: 622.66401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC(=C1C)CN(CC2=CC=CC=[N+]2CC)C(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1C)CN(CC2=CC=CC=[N+]2CC)C(=O)C.[I-]

InChI

InChI=1S/C32H51N2O2.HI/c1-5-7-8-9-10-11-12-13-14-15-16-19-25-36-32-23-20-21-30(28(32)3)26-34(29(4)35)27-31-22-17-18-24-33(31)6-2;/h17-18,20-24H,5-16,19,25-27H2,1-4H3;1H/q+1;/p-1