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

Systemtic Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzenesulfonamide iodide Openeye Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzenesulfonamide iodide CAS Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-4-methyl-N-[(1-propyl-4-pyridin-1-iumyl)methyl]benzenesulfonamide iodide IUPAC Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzenesulfonamide iodide Traditional Name: N-(4-lauryloxy-2-methyl-benzyl)-4-methyl-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzenesulfonamide iodide Formula: C36H53IN2O3S MolecularWeight: 720.78709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H53N2O3S.HI/c1-5-7-8-9-10-11-12-13-14-15-27-41-35-19-18-34(32(4)28-35)30-38(29-33-22-25-37(24-6-2)26-23-33)42(39,40)36-20-16-31(3)17-21-36;/h16-23,25-26,28H,5-15,24,27,29-30H2,1-4H3;1H/q+1;/p-1