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

Systemtic Name: N-[(3-chloranyl-4-dodecoxy-phenyl)methyl]-4-methyl-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzenesulfonamide iodide Openeye Name: N-[(3-chloro-4-dodecoxy-phenyl)methyl]-4-methyl-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzenesulfonamide iodide CAS Name: N-[(3-chloro-4-dodecoxyphenyl)methyl]-4-methyl-N-[(1-methyl-3-pyridin-1-iumyl)methyl]benzenesulfonamide iodide IUPAC Name: N-[(3-chloro-4-dodecoxyphenyl)methyl]-4-methyl-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzenesulfonamide iodide Traditional Name: N-(3-chloro-4-lauryloxy-benzyl)-4-methyl-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzenesulfonamide iodide Formula: C33H46ClIN2O3S MolecularWeight: 713.15241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H46ClN2O3S.HI/c1-4-5-6-7-8-9-10-11-12-13-23-39-33-21-18-29(24-32(33)34)26-36(27-30-15-14-22-35(3)25-30)40(37,38)31-19-16-28(2)17-20-31;/h14-22,24-25H,4-13,23,26-27H2,1-3H3;1H/q+1;/p-1