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

Systemtic Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]-4-methyl-benzenesulfonamide iodide Openeye Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]-4-methyl-benzenesulfonamide iodide CAS Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-N-[(1-ethyl-4-pyridin-1-iumyl)methyl]-4-methylbenzenesulfonamide iodide IUPAC Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]-4-methylbenzenesulfonamide iodide Traditional Name: N-(3-tert-butyl-4-lauryloxy-benzyl)-N-[(1-ethylpyridin-1-ium-4-yl)methyl]-4-methyl-benzenesulfonamide iodide Formula: C38H57IN2O3S MolecularWeight: 748.84025

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C38H57N2O3S.HI/c1-7-9-10-11-12-13-14-15-16-17-28-43-37-23-20-34(29-36(37)38(4,5)6)31-40(30-33-24-26-39(8-2)27-25-33)44(41,42)35-21-18-32(3)19-22-35;/h18-27,29H,7-17,28,30-31H2,1-6H3;1H/q+1;/p-1