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

Systemtic Name: N-[(3-chloranyl-4-dodecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-methyl-benzenesulfonamide iodide Openeye Name: N-[(3-chloro-4-dodecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-methyl-benzenesulfonamide iodide CAS Name: N-[(3-chloro-4-dodecoxyphenyl)methyl]-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-4-methylbenzenesulfonamide iodide IUPAC Name: N-[(3-chloro-4-dodecoxyphenyl)methyl]-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-methylbenzenesulfonamide iodide Traditional Name: N-(3-chloro-4-lauryloxy-benzyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-methyl-benzenesulfonamide iodide Formula: C34H48ClIN2O3S MolecularWeight: 727.17899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H48ClN2O3S.HI/c1-4-6-7-8-9-10-11-12-13-16-25-40-34-23-20-30(26-33(34)35)27-37(28-31-17-14-15-24-36(31)5-2)41(38,39)32-21-18-29(3)19-22-32;/h14-15,17-24,26H,4-13,16,25,27-28H2,1-3H3;1H/q+1;/p-1