N-[(1-ethylpyridin-1-ium-3-yl)methyl]-N-[(3-methoxy-2-tetradecoxy-phenyl)methyl]methanesulfonamide iodide

Systemtic Name: N-[(1-ethylpyridin-1-ium-3-yl)methyl]-N-[(3-methoxy-2-tetradecoxy-phenyl)methyl]methanesulfonamide iodide Openeye Name: N-[(1-ethylpyridin-1-ium-3-yl)methyl]-N-[(3-methoxy-2-tetradecoxy-phenyl)methyl]methanesulfonamide iodide CAS Name: N-[(1-ethyl-3-pyridin-1-iumyl)methyl]-N-[(3-methoxy-2-tetradecoxyphenyl)methyl]methanesulfonamide iodide IUPAC Name: N-[(1-ethylpyridin-1-ium-3-yl)methyl]-N-[(3-methoxy-2-tetradecoxyphenyl)methyl]methanesulfonamide iodide Traditional Name: N-[(1-ethylpyridin-1-ium-3-yl)methyl]-N-(3-methoxy-2-myristyloxy-benzyl)methanesulfonamide iodide Formula: C31H51IN2O4S MolecularWeight: 674.71711

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1OC)CN(CC2=C[N+](=CC=C2)CC)S(=O)(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1OC)CN(CC2=C[N+](=CC=C2)CC)S(=O)(=O)C.[I-]

InChI

InChI=1S/C31H51N2O4S.HI/c1-5-7-8-9-10-11-12-13-14-15-16-17-24-37-31-29(21-18-22-30(31)36-3)27-33(38(4,34)35)26-28-20-19-23-32(6-2)25-28;/h18-23,25H,5-17,24,26-27H2,1-4H3;1H/q+1;/p-1