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

Systemtic Name: cyclohexyl 4-[(1-methylpyridin-1-ium-3-yl)carbonylamino]butanoate iodide Openeye Name: cyclohexyl 4-[(1-methylpyridin-1-ium-3-carbonyl)amino]butanoate iodide CAS Name: 4-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]butanoic acid cyclohexyl ester iodide IUPAC Name: cyclohexyl 4-[(1-methylpyridin-1-ium-3-carbonyl)amino]butanoate iodide Traditional Name: 4-[(1-methylpyridin-1-ium-3-carbonyl)amino]butyric acid cyclohexyl ester iodide Formula: C17H25IN2O3 MolecularWeight: 432.29647

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)NCCCC(=O)OC2CCCCC2.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)NCCCC(=O)OC2CCCCC2.[I-]

InChI

InChI=1S/C17H24N2O3.HI/c1-19-12-6-7-14(13-19)17(21)18-11-5-10-16(20)22-15-8-3-2-4-9-15;/h6-7,12-13,15H,2-5,8-11H2,1H3;1H