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

Systemtic Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzenesulfonamide iodide Openeye Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzenesulfonamide iodide CAS Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-4-methyl-N-[(1-propyl-3-pyridin-1-iumyl)methyl]benzenesulfonamide iodide IUPAC Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzenesulfonamide iodide Traditional Name: N-(3-tert-butyl-4-lauryloxy-benzyl)-4-methyl-N-[(1-propylpyridin-1-ium-3-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=C[N+](=CC=C2)CCC)S(=O)(=O)C3=CC=C(C=C3)C)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)CCC)S(=O)(=O)C3=CC=C(C=C3)C)C(C)(C)C.[I-]

InChI

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