N-[(4-dodecoxy-3-methoxy-phenyl)methyl]-1-ethyl-pyridin-1-ium-2-carboxamide iodide

Systemtic Name: N-[(4-dodecoxy-3-methoxy-phenyl)methyl]-1-ethyl-pyridin-1-ium-2-carboxamide iodide Openeye Name: N-[(4-dodecoxy-3-methoxy-phenyl)methyl]-1-ethyl-pyridin-1-ium-2-carboxamide iodide CAS Name: N-[(4-dodecoxy-3-methoxyphenyl)methyl]-1-ethyl-2-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(4-dodecoxy-3-methoxyphenyl)methyl]-1-ethylpyridin-1-ium-2-carboxamide iodide Traditional Name: 1-ethyl-N-(4-lauryloxy-3-methoxy-benzyl)pyridin-1-ium-2-carboxamide iodide Formula: C28H43IN2O3 MolecularWeight: 582.55709

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(=O)C2=CC=CC=[N+]2CC)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(=O)C2=CC=CC=[N+]2CC)OC.[I-]

InChI

InChI=1S/C28H42N2O3.HI/c1-4-6-7-8-9-10-11-12-13-16-21-33-26-19-18-24(22-27(26)32-3)23-29-28(31)25-17-14-15-20-30(25)5-2;/h14-15,17-20,22H,4-13,16,21,23H2,1-3H3;1H