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

Systemtic Name: N-[(4-dodecoxy-3-methoxy-phenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzenesulfonamide iodide Openeye Name: N-[(4-dodecoxy-3-methoxy-phenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzenesulfonamide iodide CAS Name: N-[(4-dodecoxy-3-methoxyphenyl)methyl]-4-methyl-N-[(1-propyl-2-pyridin-1-iumyl)methyl]benzenesulfonamide iodide IUPAC Name: N-[(4-dodecoxy-3-methoxyphenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzenesulfonamide iodide Traditional Name: N-(4-lauryloxy-3-methoxy-benzyl)-4-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzenesulfonamide iodide Formula: C36H53IN2O4S MolecularWeight: 736.78649

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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.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C36H53N2O4S.HI/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;1H/q+1;/p-1