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

Systemtic Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzenesulfonamide iodide Openeye Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzenesulfonamide iodide CAS Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-4-methyl-N-[(1-propyl-2-pyridin-1-iumyl)methyl]benzenesulfonamide iodide IUPAC Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzenesulfonamide iodide Traditional Name: N-(3-tert-butyl-4-lauryloxy-benzyl)-4-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzenesulfonamide iodide Formula: C39H59IN2O3S MolecularWeight: 762.86683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2CCC)S(=O)(=O)C3=CC=C(C=C3)C)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2CCC)S(=O)(=O)C3=CC=C(C=C3)C)C(C)(C)C.[I-]

InChI

InChI=1S/C39H59N2O3S.HI/c1-7-9-10-11-12-13-14-15-16-19-29-44-38-26-23-34(30-37(38)39(4,5)6)31-41(32-35-20-17-18-28-40(35)27-8-2)45(42,43)36-24-21-33(3)22-25-36;/h17-18,20-26,28,30H,7-16,19,27,29,31-32H2,1-6H3;1H/q+1;/p-1