N-[(4-dodecoxy-2-methyl-phenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]methanesulfonamide iodide

Systemtic Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]methanesulfonamide iodide Openeye Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]methanesulfonamide iodide CAS Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-N-[(1-propyl-3-pyridin-1-iumyl)methyl]methanesulfonamide iodide IUPAC Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]methanesulfonamide iodide Traditional Name: N-(4-lauryloxy-2-methyl-benzyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]methanesulfonamide iodide Formula: C30H49IN2O3S MolecularWeight: 644.69113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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