methyl 1-(3-methylimidazol-3-ium-1-yl)carbonylpiperidine-4-carboxylate iodide

Systemtic Name: methyl 1-(3-methylimidazol-3-ium-1-yl)carbonylpiperidine-4-carboxylate iodide Openeye Name: methyl 1-(3-methylimidazol-3-ium-1-carbonyl)piperidine-4-carboxylate iodide CAS Name: 1-[(3-methyl-1-imidazol-3-iumyl)-oxomethyl]-4-piperidinecarboxylic acid methyl ester iodide IUPAC Name: methyl 1-(3-methylimidazol-3-ium-1-carbonyl)piperidine-4-carboxylate iodide Traditional Name: 1-(3-methylimidazol-3-ium-1-carbonyl)isonipecotic acid methyl ester iodide Formula: C12H18IN3O3 MolecularWeight: 379.19409

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)C(=O)N2CCC(CC2)C(=O)OC.[I-]

Isomeric SMILES

C[N+]1=CN(C=C1)C(=O)N2CCC(CC2)C(=O)OC.[I-]

InChI

InChI=1S/C12H18N3O3.HI/c1-13-7-8-15(9-13)12(17)14-5-3-10(4-6-14)11(16)18-2;/h7-10H,3-6H2,1-2H3;1H/q+1;/p-1