N-[(3-tert-butyl-2-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]ethanamide iodide

Systemtic Name: N-[(3-tert-butyl-2-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]ethanamide iodide Openeye Name: N-[(3-tert-butyl-2-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]acetamide iodide CAS Name: N-[(3-tert-butyl-2-tetradecoxyphenyl)methyl]-N-[(1-propyl-3-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: N-[(3-tert-butyl-2-tetradecoxyphenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]acetamide iodide Traditional Name: N-(3-tert-butyl-2-myristyloxy-benzyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]acetamide iodide Formula: C36H59IN2O2 MolecularWeight: 678.77033

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(C)(C)C)CN(CC2=C[N+](=CC=C2)CCC)C(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(C)(C)C)CN(CC2=C[N+](=CC=C2)CCC)C(=O)C.[I-]

InChI

InChI=1S/C36H59N2O2.HI/c1-7-9-10-11-12-13-14-15-16-17-18-19-27-40-35-33(23-20-24-34(35)36(4,5)6)30-38(31(3)39)29-32-22-21-26-37(28-32)25-8-2;/h20-24,26,28H,7-19,25,27,29-30H2,1-6H3;1H/q+1;/p-1