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

Systemtic Name: 2-(3-chloranyl-4-decoxy-phenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]ethanamide iodide Openeye Name: 2-(3-chloro-4-decoxy-phenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide iodide CAS Name: 2-(3-chloro-4-decoxyphenyl)-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: 2-(3-chloro-4-decoxyphenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide iodide Traditional Name: 2-(3-chloro-4-decoxy-phenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide iodide Formula: C26H38ClIN2O2 MolecularWeight: 572.94959

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NCC2=C[N+](=CC=C2)CC)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NCC2=C[N+](=CC=C2)CC)Cl.[I-]

InChI

InChI=1S/C26H37ClN2O2.HI/c1-3-5-6-7-8-9-10-11-17-31-25-15-14-22(18-24(25)27)19-26(30)28-20-23-13-12-16-29(4-2)21-23;/h12-16,18,21H,3-11,17,19-20H2,1-2H3;1H