2-(3-tert-butyl-4-dodecoxy-phenyl)-N-[(1-ethylpyridin-1-ium-4-yl)methyl]ethanamide iodide

Systemtic Name: 2-(3-tert-butyl-4-dodecoxy-phenyl)-N-[(1-ethylpyridin-1-ium-4-yl)methyl]ethanamide iodide Openeye Name: 2-(3-tert-butyl-4-dodecoxy-phenyl)-N-[(1-ethylpyridin-1-ium-4-yl)methyl]acetamide iodide CAS Name: 2-(3-tert-butyl-4-dodecoxyphenyl)-N-[(1-ethyl-4-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: 2-(3-tert-butyl-4-dodecoxyphenyl)-N-[(1-ethylpyridin-1-ium-4-yl)methyl]acetamide iodide Traditional Name: 2-(3-tert-butyl-4-lauryloxy-phenyl)-N-[(1-ethylpyridin-1-ium-4-yl)methyl]acetamide iodide Formula: C32H51IN2O2 MolecularWeight: 622.66401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NCC2=CC=[N+](C=C2)CC)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NCC2=CC=[N+](C=C2)CC)C(C)(C)C.[I-]

InChI

InChI=1S/C32H50N2O2.HI/c1-6-8-9-10-11-12-13-14-15-16-23-36-30-18-17-28(24-29(30)32(3,4)5)25-31(35)33-26-27-19-21-34(7-2)22-20-27;/h17-22,24H,6-16,23,25-26H2,1-5H3;1H