2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]ethyl 2-[6-(methoxymethyl)naphthalen-2-yl]ethanoate iodide

Systemtic Name: 2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]ethyl 2-[6-(methoxymethyl)naphthalen-2-yl]ethanoate iodide Openeye Name: 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl 2-[6-(methoxymethyl)-2-naphthyl]acetate iodide CAS Name: 2-[6-(methoxymethyl)-2-naphthalenyl]acetic acid 2-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]ethyl ester iodide IUPAC Name: 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl 2-[6-(methoxymethyl)naphthalen-2-yl]acetate iodide Traditional Name: 2-[6-(methoxymethyl)-2-naphthyl]acetic acid 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl ester iodide Formula: C23H25IN2O4 MolecularWeight: 520.36007

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)NCCOC(=O)CC2=CC3=C(C=C2)C=C(C=C3)COC.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)NCCOC(=O)CC2=CC3=C(C=C2)C=C(C=C3)COC.[I-]

InChI

InChI=1S/C23H24N2O4.HI/c1-25-10-3-4-21(15-25)23(27)24-9-11-29-22(26)14-17-5-7-20-13-18(16-28-2)6-8-19(20)12-17;/h3-8,10,12-13,15H,9,11,14,16H2,1-2H3;1H