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

Systemtic Name: 2-(4-dodecoxy-3-methoxy-phenyl)-N-[(1-ethylpyridin-1-ium-4-yl)methyl]ethanamide iodide Openeye Name: 2-(4-dodecoxy-3-methoxy-phenyl)-N-[(1-ethylpyridin-1-ium-4-yl)methyl]acetamide iodide CAS Name: 2-(4-dodecoxy-3-methoxyphenyl)-N-[(1-ethyl-4-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: 2-(4-dodecoxy-3-methoxyphenyl)-N-[(1-ethylpyridin-1-ium-4-yl)methyl]acetamide iodide Traditional Name: N-[(1-ethylpyridin-1-ium-4-yl)methyl]-2-(4-lauryloxy-3-methoxy-phenyl)acetamide iodide Formula: C29H45IN2O3 MolecularWeight: 596.58367

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44N2O3.HI/c1-4-6-7-8-9-10-11-12-13-14-21-34-27-16-15-26(22-28(27)33-3)23-29(32)30-24-25-17-19-31(5-2)20-18-25;/h15-20,22H,4-14,21,23-24H2,1-3H3;1H