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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)C)S(=O)(=O)C3=CC=C(C=C3)C)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)C)S(=O)(=O)C3=CC=C(C=C3)C)C(C)(C)C.[I-]

InChI

InChI=1S/C39H59N2O3S.HI/c1-7-8-9-10-11-12-13-14-15-16-17-18-28-44-38-26-23-34(29-37(38)39(3,4)5)31-41(32-35-20-19-27-40(6)30-35)45(42,43)36-24-21-33(2)22-25-36;/h19-27,29-30H,7-18,28,31-32H2,1-6H3;1H/q+1;/p-1