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

Systemtic Name: 2-(4-decoxy-3-methoxy-phenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]ethanamide iodide Openeye Name: 2-(4-decoxy-3-methoxy-phenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide iodide CAS Name: 2-(4-decoxy-3-methoxyphenyl)-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: 2-(4-decoxy-3-methoxyphenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide iodide Traditional Name: 2-(4-decoxy-3-methoxy-phenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide iodide Formula: C27H41IN2O3 MolecularWeight: 568.53051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O3.HI/c1-4-6-7-8-9-10-11-12-18-32-25-16-15-23(19-26(25)31-3)20-27(30)28-21-24-14-13-17-29(5-2)22-24;/h13-17,19,22H,4-12,18,20-21H2,1-3H3;1H