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

Systemtic Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]methanesulfonamide iodide Openeye Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]methanesulfonamide iodide CAS Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-N-[(1-methyl-3-pyridin-1-iumyl)methyl]methanesulfonamide iodide IUPAC Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]methanesulfonamide iodide Traditional Name: N-(3-tert-butyl-4-lauryloxy-benzyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]methanesulfonamide iodide Formula: C31H51IN2O3S MolecularWeight: 658.71771

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H51N2O3S.HI/c1-7-8-9-10-11-12-13-14-15-16-22-36-30-20-19-27(23-29(30)31(2,3)4)25-33(37(6,34)35)26-28-18-17-21-32(5)24-28;/h17-21,23-24H,7-16,22,25-26H2,1-6H3;1H/q+1;/p-1