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

Systemtic Name: N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-4-methyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzenesulfonamide iodide Openeye Name: N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-4-methyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzenesulfonamide iodide CAS Name: N-[(4-hexadecoxy-3-methoxyphenyl)methyl]-4-methyl-N-[(1-methyl-4-pyridin-1-iumyl)methyl]benzenesulfonamide iodide IUPAC Name: N-[(4-hexadecoxy-3-methoxyphenyl)methyl]-4-methyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzenesulfonamide iodide Traditional Name: N-(4-cetyloxy-3-methoxy-benzyl)-4-methyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzenesulfonamide iodide Formula: C38H57IN2O4S MolecularWeight: 764.83965

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H57N2O4S.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-44-37-24-21-35(30-38(37)43-4)32-40(31-34-25-27-39(3)28-26-34)45(41,42)36-22-19-33(2)20-23-36;/h19-28,30H,5-18,29,31-32H2,1-4H3;1H/q+1;/p-1