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

Systemtic Name: N-[(3-tert-butyl-2-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]methanesulfonamide iodide Openeye Name: N-[(3-tert-butyl-2-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]methanesulfonamide iodide CAS Name: N-[(3-tert-butyl-2-tetradecoxyphenyl)methyl]-N-[(1-propyl-4-pyridin-1-iumyl)methyl]methanesulfonamide iodide IUPAC Name: N-[(3-tert-butyl-2-tetradecoxyphenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]methanesulfonamide iodide Traditional Name: N-(3-tert-butyl-2-myristyloxy-benzyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]methanesulfonamide iodide Formula: C35H59IN2O3S MolecularWeight: 714.82403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(C)(C)C)CN(CC2=CC=[N+](C=C2)CCC)S(=O)(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(C)(C)C)CN(CC2=CC=[N+](C=C2)CCC)S(=O)(=O)C.[I-]

InChI

InChI=1S/C35H59N2O3S.HI/c1-7-9-10-11-12-13-14-15-16-17-18-19-28-40-34-32(21-20-22-33(34)35(3,4)5)30-37(41(6,38)39)29-31-23-26-36(25-8-2)27-24-31;/h20-24,26-27H,7-19,25,28-30H2,1-6H3;1H/q+1;/p-1