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

Systemtic Name: N-[(1-ethylpyridin-1-ium-3-yl)methyl]-N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-4-methyl-benzenesulfonamide iodide Openeye Name: N-[(1-ethylpyridin-1-ium-3-yl)methyl]-N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-4-methyl-benzenesulfonamide iodide CAS Name: N-[(1-ethyl-3-pyridin-1-iumyl)methyl]-N-[(4-hexadecoxy-3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide iodide IUPAC Name: N-[(1-ethylpyridin-1-ium-3-yl)methyl]-N-[(4-hexadecoxy-3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide iodide Traditional Name: N-(4-cetyloxy-3-methoxy-benzyl)-N-[(1-ethylpyridin-1-ium-3-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=C[N+](=CC=C2)CC)S(=O)(=O)C3=CC=C(C=C3)C)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)CC)S(=O)(=O)C3=CC=C(C=C3)C)OC.[I-]

InChI

InChI=1S/C39H59N2O4S.HI/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-29-45-38-27-24-35(30-39(38)44-4)32-41(33-36-21-20-28-40(6-2)31-36)46(42,43)37-25-22-34(3)23-26-37;/h20-28,30-31H,5-19,29,32-33H2,1-4H3;1H/q+1;/p-1