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

Systemtic Name: N-[(3-chloranyl-4-dodecoxy-phenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzenesulfonamide iodide Openeye Name: N-[(3-chloro-4-dodecoxy-phenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzenesulfonamide iodide CAS Name: N-[(3-chloro-4-dodecoxyphenyl)methyl]-4-methyl-N-[(1-propyl-4-pyridin-1-iumyl)methyl]benzenesulfonamide iodide IUPAC Name: N-[(3-chloro-4-dodecoxyphenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzenesulfonamide iodide Traditional Name: N-(3-chloro-4-lauryloxy-benzyl)-4-methyl-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzenesulfonamide iodide Formula: C35H50ClIN2O3S MolecularWeight: 741.20557

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H50ClN2O3S.HI/c1-4-6-7-8-9-10-11-12-13-14-26-41-35-20-17-32(27-34(35)36)29-38(28-31-21-24-37(23-5-2)25-22-31)42(39,40)33-18-15-30(3)16-19-33;/h15-22,24-25,27H,4-14,23,26,28-29H2,1-3H3;1H/q+1;/p-1