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

Systemtic Name: N-[(3-chloranyl-4-tetradecoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]methanesulfonamide iodide Openeye Name: N-[(3-chloro-4-tetradecoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]methanesulfonamide iodide CAS Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-N-[(1-methyl-3-pyridin-1-iumyl)methyl]methanesulfonamide iodide IUPAC Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]methanesulfonamide iodide Traditional Name: N-(3-chloro-4-myristyloxy-benzyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]methanesulfonamide iodide Formula: C29H46ClIN2O3S MolecularWeight: 665.10961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H46ClN2O3S.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-21-35-29-19-18-26(22-28(29)30)24-32(36(3,33)34)25-27-17-16-20-31(2)23-27;/h16-20,22-23H,4-15,21,24-25H2,1-3H3;1H/q+1;/p-1