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

Systemtic Name: N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-4-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzenesulfonamide iodide Openeye Name: N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-4-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzenesulfonamide iodide CAS Name: N-[(4-hexadecoxy-2-methylphenyl)methyl]-4-methyl-N-[(1-methyl-2-pyridin-1-iumyl)methyl]benzenesulfonamide iodide IUPAC Name: N-[(4-hexadecoxy-2-methylphenyl)methyl]-4-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzenesulfonamide iodide Traditional Name: N-(4-cetyloxy-2-methyl-benzyl)-4-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzenesulfonamide iodide Formula: C38H57IN2O3S MolecularWeight: 748.84025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H57N2O3S.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-43-37-25-24-35(34(3)30-37)31-40(32-36-21-18-19-28-39(36)4)44(41,42)38-26-22-33(2)23-27-38;/h18-19,21-28,30H,5-17,20,29,31-32H2,1-4H3;1H/q+1;/p-1