N-[(4-dodecoxy-3-methoxy-phenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzenesulfonamide

Systemtic Name: N-[(4-dodecoxy-3-methoxy-phenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzenesulfonamide Openeye Name: N-[(4-dodecoxy-3-methoxy-phenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzenesulfonamide CAS Name: N-[(4-dodecoxy-3-methoxyphenyl)methyl]-4-methyl-N-[(1-propyl-2-pyridin-1-iumyl)methyl]benzenesulfonamide IUPAC Name: N-[(4-dodecoxy-3-methoxyphenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzenesulfonamide Traditional Name: N-(4-lauryloxy-3-methoxy-benzyl)-4-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzenesulfonamide Formula: C36H53N2O4S+ MolecularWeight: 609.88202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2CCC)S(=O)(=O)C3=CC=C(C=C3)C)OC

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2CCC)S(=O)(=O)C3=CC=C(C=C3)C)OC

InChI

InChI=1S/C36H53N2O4S/c1-5-7-8-9-10-11-12-13-14-17-27-42-35-24-21-32(28-36(35)41-4)29-38(30-33-18-15-16-26-37(33)25-6-2)43(39,40)34-22-19-31(3)20-23-34/h15-16,18-24,26,28H,5-14,17,25,27,29-30H2,1-4H3/q+1