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

Systemtic Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]methanesulfonamide Openeye Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]methanesulfonamide CAS Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-N-[(1-propyl-3-pyridin-1-iumyl)methyl]methanesulfonamide IUPAC Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]methanesulfonamide Traditional Name: N-(3-tert-butyl-4-myristyloxy-benzyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]methanesulfonamide Formula: C35H59N2O3S+ MolecularWeight: 587.91956

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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

Isomeric SMILES

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

InChI

InChI=1S/C35H59N2O3S/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/q+1