N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-(2-methyl-4-tetradecoxy-phenoxy)-3-oxidanylidene-butanamide iodide

Systemtic Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-(2-methyl-4-tetradecoxy-phenoxy)-3-oxidanylidene-butanamide iodide Openeye Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-(2-methyl-4-tetradecoxy-phenoxy)-3-oxo-butanamide iodide CAS Name: N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-2-(2-methyl-4-tetradecoxyphenoxy)-3-oxobutanamide iodide IUPAC Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-(2-methyl-4-tetradecoxyphenoxy)-3-oxobutanamide iodide Traditional Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-3-keto-2-(2-methyl-4-myristyloxy-phenoxy)butyramide iodide Formula: C33H51IN2O4 MolecularWeight: 666.67351

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)OC(C(=O)C)C(=O)NCC2=CC=CC=[N+]2CC)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)OC(C(=O)C)C(=O)NCC2=CC=CC=[N+]2CC)C.[I-]

InChI

InChI=1S/C33H50N2O4.HI/c1-5-7-8-9-10-11-12-13-14-15-16-19-24-38-30-21-22-31(27(3)25-30)39-32(28(4)36)33(37)34-26-29-20-17-18-23-35(29)6-2;/h17-18,20-23,25,32H,5-16,19,24,26H2,1-4H3;1H