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

Systemtic Name: N-[(4-dodecoxy-3-methoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]methanesulfonamide iodide Openeye Name: N-[(4-dodecoxy-3-methoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]methanesulfonamide iodide CAS Name: N-[(4-dodecoxy-3-methoxyphenyl)methyl]-N-[(1-methyl-3-pyridin-1-iumyl)methyl]methanesulfonamide iodide IUPAC Name: N-[(4-dodecoxy-3-methoxyphenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]methanesulfonamide iodide Traditional Name: N-(4-lauryloxy-3-methoxy-benzyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]methanesulfonamide iodide Formula: C28H45IN2O4S MolecularWeight: 632.63737

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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)OC.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C28H45N2O4S.HI/c1-5-6-7-8-9-10-11-12-13-14-20-34-27-18-17-25(21-28(27)33-3)23-30(35(4,31)32)24-26-16-15-19-29(2)22-26;/h15-19,21-22H,5-14,20,23-24H2,1-4H3;1H/q+1;/p-1