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

Systemtic Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-4-methyl-benzenesulfonamide iodide Openeye Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-4-methyl-benzenesulfonamide iodide CAS Name: N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-N-[(4-hexadecoxy-3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide iodide IUPAC Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-[(4-hexadecoxy-3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide iodide Traditional Name: N-(4-cetyloxy-3-methoxy-benzyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-methyl-benzenesulfonamide iodide Formula: C39H59IN2O4S MolecularWeight: 778.86623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2CC)S(=O)(=O)C3=CC=C(C=C3)C)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2CC)S(=O)(=O)C3=CC=C(C=C3)C)OC.[I-]

InChI

InChI=1S/C39H59N2O4S.HI/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-30-45-38-28-25-35(31-39(38)44-4)32-41(33-36-22-19-20-29-40(36)6-2)46(42,43)37-26-23-34(3)24-27-37;/h19-20,22-29,31H,5-18,21,30,32-33H2,1-4H3;1H/q+1;/p-1