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

Systemtic Name: N-[(3-chloranyl-4-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]methanesulfonamide iodide Openeye Name: N-[(3-chloro-4-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]methanesulfonamide iodide CAS Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-N-[(1-propyl-3-pyridin-1-iumyl)methyl]methanesulfonamide iodide IUPAC Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]methanesulfonamide iodide Traditional Name: N-(3-chloro-4-myristyloxy-benzyl)-N-[(1-propylpyridin-1-ium-3-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=C[N+](=CC=C2)CCC)S(=O)(=O)C)Cl.[I-]

Isomeric SMILES

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

InChI

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