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

Systemtic Name: N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-N-[(1-methylpyridin-1-ium-4-yl)methyl]ethanamide iodide Openeye Name: N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-N-[(1-methylpyridin-1-ium-4-yl)methyl]acetamide iodide CAS Name: N-[(4-hexadecoxy-2-methylphenyl)methyl]-N-[(1-methyl-4-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: N-[(4-hexadecoxy-2-methylphenyl)methyl]-N-[(1-methylpyridin-1-ium-4-yl)methyl]acetamide iodide Traditional Name: N-(4-cetyloxy-2-methyl-benzyl)-N-[(1-methylpyridin-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)CN(CC2=CC=[N+](C=C2)C)C(=O)C)C.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C33H53N2O2.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-37-33-20-19-32(29(2)26-33)28-35(30(3)36)27-31-21-23-34(4)24-22-31;/h19-24,26H,5-18,25,27-28H2,1-4H3;1H/q+1;/p-1