4-dodecoxy-N-[(1-ethylpyridin-1-ium-3-yl)methyl]-2-methoxy-benzamide iodide

Systemtic Name: 4-dodecoxy-N-[(1-ethylpyridin-1-ium-3-yl)methyl]-2-methoxy-benzamide iodide Openeye Name: 4-dodecoxy-N-[(1-ethylpyridin-1-ium-3-yl)methyl]-2-methoxy-benzamide iodide CAS Name: 4-dodecoxy-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]-2-methoxybenzamide iodide IUPAC Name: 4-dodecoxy-N-[(1-ethylpyridin-1-ium-3-yl)methyl]-2-methoxybenzamide iodide Traditional Name: N-[(1-ethylpyridin-1-ium-3-yl)methyl]-4-lauryloxy-2-methoxy-benzamide iodide Formula: C28H43IN2O3 MolecularWeight: 582.55709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42N2O3.HI/c1-4-6-7-8-9-10-11-12-13-14-20-33-25-17-18-26(27(21-25)32-3)28(31)29-22-24-16-15-19-30(5-2)23-24;/h15-19,21,23H,4-14,20,22H2,1-3H3;1H