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

Systemtic Name: N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-N-[(1-methylpyridin-1-ium-2-yl)methyl]methanesulfonamide iodide Openeye Name: N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-N-[(1-methylpyridin-1-ium-2-yl)methyl]methanesulfonamide iodide CAS Name: N-[(4-hexadecoxy-2-methylphenyl)methyl]-N-[(1-methyl-2-pyridin-1-iumyl)methyl]methanesulfonamide iodide IUPAC Name: N-[(4-hexadecoxy-2-methylphenyl)methyl]-N-[(1-methylpyridin-1-ium-2-yl)methyl]methanesulfonamide iodide Traditional Name: N-(4-cetyloxy-2-methyl-benzyl)-N-[(1-methylpyridin-1-ium-2-yl)methyl]methanesulfonamide iodide Formula: C32H53IN2O3S MolecularWeight: 672.74429

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)CN(CC2=CC=CC=[N+]2C)S(=O)(=O)C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)CN(CC2=CC=CC=[N+]2C)S(=O)(=O)C)C.[I-]

InChI

InChI=1S/C32H53N2O3S.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-37-32-23-22-30(29(2)26-32)27-34(38(4,35)36)28-31-21-18-19-24-33(31)3;/h18-19,21-24,26H,5-17,20,25,27-28H2,1-4H3;1H/q+1;/p-1