[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1-methylpyridin-1-ium-3-yl)methanone iodide

Systemtic Name: [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1-methylpyridin-1-ium-3-yl)methanone iodide Openeye Name: [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1-methylpyridin-1-ium-3-yl)methanone iodide CAS Name: [(2S)-2-(methoxymethyl)-1-pyrrolidinyl]-(1-methyl-3-pyridin-1-iumyl)methanone iodide IUPAC Name: [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1-methylpyridin-1-ium-3-yl)methanone iodide Traditional Name: [(2S)-2-(methoxymethyl)pyrrolidino]-(1-methylpyridin-1-ium-3-yl)methanone iodide Formula: C13H19IN2O2 MolecularWeight: 362.20663

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)N2CCCC2COC.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)N2CCC[C@H]2COC.[I-]

InChI

InChI=1S/C13H19N2O2.HI/c1-14-7-3-5-11(9-14)13(16)15-8-4-6-12(15)10-17-2;/h3,5,7,9,12H,4,6,8,10H2,1-2H3;1H/q+1;/p-1/t12-;/m0./s1