N-[(2-methyl-3-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-2-yl)methyl]methanesulfonamide iodide

Systemtic Name: N-[(2-methyl-3-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-2-yl)methyl]methanesulfonamide iodide Openeye Name: N-[(2-methyl-3-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-2-yl)methyl]methanesulfonamide iodide CAS Name: N-[(2-methyl-3-tetradecoxyphenyl)methyl]-N-[(1-propyl-2-pyridin-1-iumyl)methyl]methanesulfonamide iodide IUPAC Name: N-[(2-methyl-3-tetradecoxyphenyl)methyl]-N-[(1-propylpyridin-1-ium-2-yl)methyl]methanesulfonamide iodide Traditional Name: N-(2-methyl-3-myristyloxy-benzyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]methanesulfonamide iodide Formula: C32H53IN2O3S MolecularWeight: 672.74429

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC(=C1C)CN(CC2=CC=CC=[N+]2CCC)S(=O)(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1C)CN(CC2=CC=CC=[N+]2CCC)S(=O)(=O)C.[I-]

InChI

InChI=1S/C32H53N2O3S.HI/c1-5-7-8-9-10-11-12-13-14-15-16-19-26-37-32-23-20-21-30(29(32)3)27-34(38(4,35)36)28-31-22-17-18-25-33(31)24-6-2;/h17-18,20-23,25H,5-16,19,24,26-28H2,1-4H3;1H/q+1;/p-1