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

Systemtic Name: N-[(3-chloranyl-4-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]methanesulfonamide iodide Openeye Name: N-[(3-chloro-4-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]methanesulfonamide iodide CAS Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-N-[(1-propyl-4-pyridin-1-iumyl)methyl]methanesulfonamide iodide IUPAC Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]methanesulfonamide iodide Traditional Name: N-(3-chloro-4-myristyloxy-benzyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]methanesulfonamide iodide Formula: C31H50ClIN2O3S MolecularWeight: 693.16277

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)CCC)S(=O)(=O)C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)CCC)S(=O)(=O)C)Cl.[I-]

InChI

InChI=1S/C31H50ClN2O3S.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-24-37-31-18-17-29(25-30(31)32)27-34(38(3,35)36)26-28-19-22-33(21-5-2)23-20-28;/h17-20,22-23,25H,4-16,21,24,26-27H2,1-3H3;1H/q+1;/p-1