N-[(1-ethylpyridin-1-ium-4-yl)methyl]-N-(4-hexadecoxy-2-methyl-phenyl)ethanamide iodide

Systemtic Name: N-[(1-ethylpyridin-1-ium-4-yl)methyl]-N-(4-hexadecoxy-2-methyl-phenyl)ethanamide iodide Openeye Name: N-[(1-ethylpyridin-1-ium-4-yl)methyl]-N-(4-hexadecoxy-2-methyl-phenyl)acetamide iodide CAS Name: N-[(1-ethyl-4-pyridin-1-iumyl)methyl]-N-(4-hexadecoxy-2-methylphenyl)acetamide iodide IUPAC Name: N-[(1-ethylpyridin-1-ium-4-yl)methyl]-N-(4-hexadecoxy-2-methylphenyl)acetamide iodide Traditional Name: N-(4-cetyloxy-2-methyl-phenyl)-N-[(1-ethylpyridin-1-ium-4-yl)methyl]acetamide iodide Formula: C33H53IN2O2 MolecularWeight: 636.69059

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)N(CC2=CC=[N+](C=C2)CC)C(=O)C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)N(CC2=CC=[N+](C=C2)CC)C(=O)C)C.[I-]

InChI

InChI=1S/C33H53N2O2.HI/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-26-37-32-20-21-33(29(3)27-32)35(30(4)36)28-31-22-24-34(6-2)25-23-31;/h20-25,27H,5-19,26,28H2,1-4H3;1H/q+1;/p-1