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

Systemtic Name: N-[(4-dodecoxy-3-methoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]-4-methyl-benzenesulfonamide iodide Openeye Name: N-[(4-dodecoxy-3-methoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]-4-methyl-benzenesulfonamide iodide CAS Name: N-[(4-dodecoxy-3-methoxyphenyl)methyl]-N-[(1-ethyl-4-pyridin-1-iumyl)methyl]-4-methylbenzenesulfonamide iodide IUPAC Name: N-[(4-dodecoxy-3-methoxyphenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]-4-methylbenzenesulfonamide iodide Traditional Name: N-[(1-ethylpyridin-1-ium-4-yl)methyl]-N-(4-lauryloxy-3-methoxy-benzyl)-4-methyl-benzenesulfonamide iodide Formula: C35H51IN2O4S MolecularWeight: 722.75991

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H51N2O4S.HI/c1-5-7-8-9-10-11-12-13-14-15-26-41-34-21-18-32(27-35(34)40-4)29-37(28-31-22-24-36(6-2)25-23-31)42(38,39)33-19-16-30(3)17-20-33;/h16-25,27H,5-15,26,28-29H2,1-4H3;1H/q+1;/p-1