N-[(4-dodecoxy-2-methyl-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-methyl-benzenesulfonamide iodide

Systemtic Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-methyl-benzenesulfonamide iodide Openeye Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-methyl-benzenesulfonamide iodide CAS Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-4-methylbenzenesulfonamide iodide IUPAC Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-methylbenzenesulfonamide iodide Traditional Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-(4-lauryloxy-2-methyl-benzyl)-4-methyl-benzenesulfonamide iodide Formula: C35H51IN2O3S MolecularWeight: 706.76051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H51N2O3S.HI/c1-5-7-8-9-10-11-12-13-14-17-26-40-34-22-21-32(31(4)27-34)28-37(29-33-18-15-16-25-36(33)6-2)41(38,39)35-23-19-30(3)20-24-35;/h15-16,18-25,27H,5-14,17,26,28-29H2,1-4H3;1H/q+1;/p-1