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

Systemtic Name: N-[(3-chloranyl-4-hexadecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]-4-methyl-benzenesulfonamide iodide Openeye Name: N-[(3-chloro-4-hexadecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]-4-methyl-benzenesulfonamide iodide CAS Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-N-[(1-ethyl-4-pyridin-1-iumyl)methyl]-4-methylbenzenesulfonamide iodide IUPAC Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]-4-methylbenzenesulfonamide iodide Traditional Name: N-(4-cetyloxy-3-chloro-benzyl)-N-[(1-ethylpyridin-1-ium-4-yl)methyl]-4-methyl-benzenesulfonamide iodide Formula: C38H56ClIN2O3S MolecularWeight: 783.28531

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H56ClN2O3S.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-29-44-38-24-21-35(30-37(38)39)32-41(31-34-25-27-40(5-2)28-26-34)45(42,43)36-22-19-33(3)20-23-36;/h19-28,30H,4-18,29,31-32H2,1-3H3;1H/q+1;/p-1