N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]methanesulfonamide iodide

Systemtic Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]methanesulfonamide iodide Openeye Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]methanesulfonamide iodide CAS Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-N-[(1-propyl-3-pyridin-1-iumyl)methyl]methanesulfonamide iodide IUPAC Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]methanesulfonamide iodide Traditional Name: N-(3-tert-butyl-4-myristyloxy-benzyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]methanesulfonamide iodide Formula: C35H59IN2O3S MolecularWeight: 714.82403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)CCC)S(=O)(=O)C)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)CCC)S(=O)(=O)C)C(C)(C)C.[I-]

InChI

InChI=1S/C35H59N2O3S.HI/c1-7-9-10-11-12-13-14-15-16-17-18-19-26-40-34-23-22-31(27-33(34)35(3,4)5)29-37(41(6,38)39)30-32-21-20-25-36(28-32)24-8-2;/h20-23,25,27-28H,7-19,24,26,29-30H2,1-6H3;1H/q+1;/p-1