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

Systemtic Name: N-[(3-tert-butyl-2-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-2-yl)methyl]methanesulfonamide iodide Openeye Name: N-[(3-tert-butyl-2-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-2-yl)methyl]methanesulfonamide iodide CAS Name: N-[(3-tert-butyl-2-tetradecoxyphenyl)methyl]-N-[(1-propyl-2-pyridin-1-iumyl)methyl]methanesulfonamide iodide IUPAC Name: N-[(3-tert-butyl-2-tetradecoxyphenyl)methyl]-N-[(1-propylpyridin-1-ium-2-yl)methyl]methanesulfonamide iodide Traditional Name: N-(3-tert-butyl-2-myristyloxy-benzyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]methanesulfonamide iodide Formula: C35H59IN2O3S MolecularWeight: 714.82403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H59N2O3S.HI/c1-7-9-10-11-12-13-14-15-16-17-18-21-28-40-34-31(23-22-25-33(34)35(3,4)5)29-37(41(6,38)39)30-32-24-19-20-27-36(32)26-8-2;/h19-20,22-25,27H,7-18,21,26,28-30H2,1-6H3;1H/q+1;/p-1