N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]ethanamide iodide

Systemtic Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]ethanamide iodide Openeye Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]acetamide iodide CAS Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-N-[(1-ethyl-4-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]acetamide iodide Traditional Name: N-(3-tert-butyl-4-lauryloxy-benzyl)-N-[(1-ethylpyridin-1-ium-4-yl)methyl]acetamide iodide Formula: C33H53IN2O2 MolecularWeight: 636.69059

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)CC)C(=O)C)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)CC)C(=O)C)C(C)(C)C.[I-]

InChI

InChI=1S/C33H53N2O2.HI/c1-7-9-10-11-12-13-14-15-16-17-24-37-32-19-18-30(25-31(32)33(4,5)6)27-35(28(3)36)26-29-20-22-34(8-2)23-21-29;/h18-23,25H,7-17,24,26-27H2,1-6H3;1H/q+1;/p-1