N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-4-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzenesulfonamide

Systemtic Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-4-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzenesulfonamide Openeye Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-4-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzenesulfonamide CAS Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-4-methyl-N-[(1-methyl-2-pyridin-1-iumyl)methyl]benzenesulfonamide IUPAC Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-4-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzenesulfonamide Traditional Name: N-(3-tert-butyl-4-myristyloxy-benzyl)-4-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzenesulfonamide Formula: C39H59N2O3S+ MolecularWeight: 635.96236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2C)S(=O)(=O)C3=CC=C(C=C3)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2C)S(=O)(=O)C3=CC=C(C=C3)C)C(C)(C)C

InChI

InChI=1S/C39H59N2O3S/c1-7-8-9-10-11-12-13-14-15-16-17-20-29-44-38-27-24-34(30-37(38)39(3,4)5)31-41(32-35-21-18-19-28-40(35)6)45(42,43)36-25-22-33(2)23-26-36/h18-19,21-28,30H,7-17,20,29,31-32H2,1-6H3/q+1