N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-4-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzenesulfonamide iodide

Systemtic Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-4-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzenesulfonamide iodide Openeye Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-4-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzenesulfonamide iodide CAS Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-4-methyl-N-[(1-methyl-2-pyridin-1-iumyl)methyl]benzenesulfonamide iodide IUPAC Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-4-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzenesulfonamide iodide Traditional Name: N-(3-tert-butyl-4-myristyloxy-benzyl)-4-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzenesulfonamide iodide Formula: C39H59IN2O3S MolecularWeight: 762.86683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2C)S(=O)(=O)C3=CC=C(C=C3)C)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2C)S(=O)(=O)C3=CC=C(C=C3)C)C(C)(C)C.[I-]

InChI

InChI=1S/C39H59N2O3S.HI/c1-7-8-9-10-11-12-13-14-15-16-17-20-29-44-38-27-24-34(30-37(38)39(3,4)5)31-41(32-35-21-18-19-28-40(35)6)45(42,43)36-25-22-33(2)23-26-36;/h18-19,21-28,30H,7-17,20,29,31-32H2,1-6H3;1H/q+1;/p-1