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

Systemtic Name: N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]-4-methyl-benzenesulfonamide iodide Openeye Name: N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]-4-methyl-benzenesulfonamide iodide CAS Name: N-[(3-tert-butyl-4-hexadecoxyphenyl)methyl]-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]-4-methylbenzenesulfonamide iodide IUPAC Name: N-[(3-tert-butyl-4-hexadecoxyphenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]-4-methylbenzenesulfonamide iodide Traditional Name: N-(3-tert-butyl-4-cetyloxy-benzyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]-4-methyl-benzenesulfonamide iodide Formula: C42H65IN2O3S MolecularWeight: 804.94657

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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)C(C)(C)C.[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)C(C)(C)C.[I-]

InChI

InChI=1S/C42H65N2O3S.HI/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-31-47-41-29-26-37(32-40(41)42(4,5)6)34-44(35-38-23-22-30-43(8-2)33-38)48(45,46)39-27-24-36(3)25-28-39;/h22-30,32-33H,7-21,31,34-35H2,1-6H3;1H/q+1;/p-1