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

Systemtic Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-1-ethyl-pyridin-1-ium-3-carboxamide iodide Openeye Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-1-ethyl-pyridin-1-ium-3-carboxamide iodide CAS Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-1-ethyl-3-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-1-ethylpyridin-1-ium-3-carboxamide iodide Traditional Name: 1-ethyl-N-(4-lauryloxy-2-methyl-benzyl)pyridin-1-ium-3-carboxamide iodide Formula: C28H43IN2O2 MolecularWeight: 566.55769

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42N2O2.HI/c1-4-6-7-8-9-10-11-12-13-14-20-32-27-18-17-25(24(3)21-27)22-29-28(31)26-16-15-19-30(5-2)23-26;/h15-19,21,23H,4-14,20,22H2,1-3H3;1H