2-(4-dodecoxyphenoxy)-N-ethanoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]propanamide iodide

Systemtic Name: 2-(4-dodecoxyphenoxy)-N-ethanoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]propanamide iodide Openeye Name: N-acetyl-2-(4-dodecoxyphenoxy)-N-[(1-propylpyridin-1-ium-2-yl)methyl]propanamide iodide CAS Name: N-acetyl-2-(4-dodecoxyphenoxy)-N-[(1-propyl-2-pyridin-1-iumyl)methyl]propanamide iodide IUPAC Name: N-acetyl-2-(4-dodecoxyphenoxy)-N-[(1-propylpyridin-1-ium-2-yl)methyl]propanamide iodide Traditional Name: N-acetyl-2-(4-lauryloxyphenoxy)-N-[(1-propylpyridin-1-ium-2-yl)methyl]propionamide iodide Formula: C32H49IN2O4 MolecularWeight: 652.64693

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)OC(C)C(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)OC(C)C(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C.[I-]

InChI

InChI=1S/C32H49N2O4.HI/c1-5-7-8-9-10-11-12-13-14-17-25-37-30-19-21-31(22-20-30)38-27(3)32(36)34(28(4)35)26-29-18-15-16-24-33(29)23-6-2;/h15-16,18-22,24,27H,5-14,17,23,25-26H2,1-4H3;1H/q+1;/p-1