(phenylmethyl) 4-[(1-methylpyridin-1-ium-3-yl)carbonylamino]butanoate iodide

Systemtic Name: (phenylmethyl) 4-[(1-methylpyridin-1-ium-3-yl)carbonylamino]butanoate iodide Openeye Name: benzyl 4-[(1-methylpyridin-1-ium-3-carbonyl)amino]butanoate iodide CAS Name: 4-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]butanoic acid (phenylmethyl) ester iodide IUPAC Name: benzyl 4-[(1-methylpyridin-1-ium-3-carbonyl)amino]butanoate iodide Traditional Name: 4-[(1-methylpyridin-1-ium-3-carbonyl)amino]butyric acid benzyl ester iodide Formula: C18H21IN2O3 MolecularWeight: 440.27541

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)NCCCC(=O)OCC2=CC=CC=C2.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)NCCCC(=O)OCC2=CC=CC=C2.[I-]

InChI

InChI=1S/C18H20N2O3.HI/c1-20-12-6-9-16(13-20)18(22)19-11-5-10-17(21)23-14-15-7-3-2-4-8-15;/h2-4,6-9,12-13H,5,10-11,14H2,1H3;1H