N-[(1-methylpyridin-1-ium-2-yl)methyl]-N-[(2-methyl-3-tetradecoxy-phenyl)methyl]methanesulfonamide iodide

Systemtic Name: N-[(1-methylpyridin-1-ium-2-yl)methyl]-N-[(2-methyl-3-tetradecoxy-phenyl)methyl]methanesulfonamide iodide Openeye Name: N-[(1-methylpyridin-1-ium-2-yl)methyl]-N-[(2-methyl-3-tetradecoxy-phenyl)methyl]methanesulfonamide iodide CAS Name: N-[(1-methyl-2-pyridin-1-iumyl)methyl]-N-[(2-methyl-3-tetradecoxyphenyl)methyl]methanesulfonamide iodide IUPAC Name: N-[(1-methylpyridin-1-ium-2-yl)methyl]-N-[(2-methyl-3-tetradecoxyphenyl)methyl]methanesulfonamide iodide Traditional Name: N-(2-methyl-3-myristyloxy-benzyl)-N-[(1-methylpyridin-1-ium-2-yl)methyl]methanesulfonamide iodide Formula: C30H49IN2O3S MolecularWeight: 644.69113

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC(=C1C)CN(CC2=CC=CC=[N+]2C)S(=O)(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1C)CN(CC2=CC=CC=[N+]2C)S(=O)(=O)C.[I-]

InChI

InChI=1S/C30H49N2O3S.HI/c1-5-6-7-8-9-10-11-12-13-14-15-18-24-35-30-22-19-20-28(27(30)2)25-32(36(4,33)34)26-29-21-16-17-23-31(29)3;/h16-17,19-23H,5-15,18,24-26H2,1-4H3;1H/q+1;/p-1