N-[(1-methylpyridin-1-ium-2-yl)methyl]-2-(4-tetradecoxyphenyl)ethanamide iodide

Systemtic Name: N-[(1-methylpyridin-1-ium-2-yl)methyl]-2-(4-tetradecoxyphenyl)ethanamide iodide Openeye Name: N-[(1-methylpyridin-1-ium-2-yl)methyl]-2-(4-tetradecoxyphenyl)acetamide iodide CAS Name: N-[(1-methyl-2-pyridin-1-iumyl)methyl]-2-(4-tetradecoxyphenyl)acetamide iodide IUPAC Name: N-[(1-methylpyridin-1-ium-2-yl)methyl]-2-(4-tetradecoxyphenyl)acetamide iodide Traditional Name: N-[(1-methylpyridin-1-ium-2-yl)methyl]-2-(4-myristyloxyphenyl)acetamide iodide Formula: C29H45IN2O2 MolecularWeight: 580.58427

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44N2O2.HI/c1-3-4-5-6-7-8-9-10-11-12-13-16-23-33-28-20-18-26(19-21-28)24-29(32)30-25-27-17-14-15-22-31(27)2;/h14-15,17-22H,3-13,16,23-25H2,1-2H3;1H