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

Systemtic Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-2-yl)methyl]methanesulfonamide iodide Openeye Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-2-yl)methyl]methanesulfonamide iodide CAS Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]methanesulfonamide iodide IUPAC Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-N-[(1-ethylpyridin-1-ium-2-yl)methyl]methanesulfonamide iodide Traditional Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-(4-lauryloxy-2-methyl-benzyl)methanesulfonamide iodide Formula: C29H47IN2O3S MolecularWeight: 630.66455

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H47N2O3S.HI/c1-5-7-8-9-10-11-12-13-14-17-22-34-29-20-19-27(26(3)23-29)24-31(35(4,32)33)25-28-18-15-16-21-30(28)6-2;/h15-16,18-21,23H,5-14,17,22,24-25H2,1-4H3;1H/q+1;/p-1