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

Systemtic Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Openeye Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzenesulfonamide CAS Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-4-methyl-N-[(1-propyl-3-pyridin-1-iumyl)methyl]benzenesulfonamide IUPAC Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Traditional Name: N-(3-tert-butyl-4-lauryloxy-benzyl)-4-methyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Formula: C39H59N2O3S+ MolecularWeight: 635.96236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)CCC)S(=O)(=O)C3=CC=C(C=C3)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)CCC)S(=O)(=O)C3=CC=C(C=C3)C)C(C)(C)C

InChI

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