N-[(3-chloranyl-4-hexadecoxy-phenyl)methyl]-4-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzenesulfonamide iodide

Systemtic Name: N-[(3-chloranyl-4-hexadecoxy-phenyl)methyl]-4-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzenesulfonamide iodide Openeye Name: N-[(3-chloro-4-hexadecoxy-phenyl)methyl]-4-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzenesulfonamide iodide CAS Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-4-methyl-N-[(1-methyl-2-pyridin-1-iumyl)methyl]benzenesulfonamide iodide IUPAC Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-4-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzenesulfonamide iodide Traditional Name: N-(4-cetyloxy-3-chloro-benzyl)-4-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzenesulfonamide iodide Formula: C37H54ClIN2O3S MolecularWeight: 769.25873

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H54ClN2O3S.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-43-37-26-23-33(29-36(37)38)30-40(31-34-20-17-18-27-39(34)3)44(41,42)35-24-21-32(2)22-25-35;/h17-18,20-27,29H,4-16,19,28,30-31H2,1-3H3;1H/q+1;/p-1