ethyl 1-(3-methylimidazol-3-ium-1-yl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-(3-methylimidazol-3-ium-1-yl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(3-methylimidazol-3-ium-1-carbonyl)piperidine-3-carboxylate CAS Name: 1-[(3-methyl-1-imidazol-3-iumyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-methylimidazol-3-ium-1-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(3-methylimidazol-3-ium-1-carbonyl)nipecotic acid ethyl ester Formula: C13H20N3O3+ MolecularWeight: 266.3162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)N2C=C[N+](=C2)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)N2C=C[N+](=C2)C

InChI

InChI=1S/C13H20N3O3/c1-3-19-12(17)11-5-4-6-15(9-11)13(18)16-8-7-14(2)10-16/h7-8,10-11H,3-6,9H2,1-2H3/q+1