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

Systemtic Name: N-[(3-tert-butyl-2-tetradecoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]ethanamide iodide Openeye Name: N-[(3-tert-butyl-2-tetradecoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide iodide CAS Name: N-[(3-tert-butyl-2-tetradecoxyphenyl)methyl]-N-[(1-methyl-3-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: N-[(3-tert-butyl-2-tetradecoxyphenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide iodide Traditional Name: N-(3-tert-butyl-2-myristyloxy-benzyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide iodide Formula: C34H55IN2O2 MolecularWeight: 650.71717

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H55N2O2.HI/c1-7-8-9-10-11-12-13-14-15-16-17-18-25-38-33-31(22-19-23-32(33)34(3,4)5)28-36(29(2)37)27-30-21-20-24-35(6)26-30;/h19-24,26H,7-18,25,27-28H2,1-6H3;1H/q+1;/p-1