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

Systemtic Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-N-[(1-methylpyridin-1-ium-4-yl)methyl]methanesulfonamide iodide Openeye Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-N-[(1-methylpyridin-1-ium-4-yl)methyl]methanesulfonamide iodide CAS Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-N-[(1-methyl-4-pyridin-1-iumyl)methyl]methanesulfonamide iodide IUPAC Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-N-[(1-methylpyridin-1-ium-4-yl)methyl]methanesulfonamide iodide Traditional Name: N-(4-lauryloxy-2-methyl-benzyl)-N-[(1-methylpyridin-1-ium-4-yl)methyl]methanesulfonamide iodide Formula: C28H45IN2O3S MolecularWeight: 616.63797

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H45N2O3S.HI/c1-5-6-7-8-9-10-11-12-13-14-21-33-28-16-15-27(25(2)22-28)24-30(34(4,31)32)23-26-17-19-29(3)20-18-26;/h15-20,22H,5-14,21,23-24H2,1-4H3;1H/q+1;/p-1