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

Systemtic Name: N-[(3-chloranyl-4-hexadecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-2-yl)methyl]methanesulfonamide iodide Openeye Name: N-[(3-chloro-4-hexadecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-2-yl)methyl]methanesulfonamide iodide CAS Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-N-[(1-propyl-2-pyridin-1-iumyl)methyl]methanesulfonamide iodide IUPAC Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-N-[(1-propylpyridin-1-ium-2-yl)methyl]methanesulfonamide iodide Traditional Name: N-(4-cetyloxy-3-chloro-benzyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]methanesulfonamide iodide Formula: C33H54ClIN2O3S MolecularWeight: 721.21593

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H54ClN2O3S.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-26-39-33-23-22-30(27-32(33)34)28-36(40(3,37)38)29-31-21-18-19-25-35(31)24-5-2;/h18-19,21-23,25,27H,4-17,20,24,26,28-29H2,1-3H3;1H/q+1;/p-1