(3-methylimidazol-3-ium-1-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone iodide

Systemtic Name: (3-methylimidazol-3-ium-1-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone iodide Openeye Name: (3-methylimidazol-3-ium-1-yl)-[4-(2-pyridyl)piperazin-1-yl]methanone iodide CAS Name: (3-methyl-1-imidazol-3-iumyl)-[4-(2-pyridinyl)-1-piperazinyl]methanone iodide IUPAC Name: (3-methylimidazol-3-ium-1-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone iodide Traditional Name: (3-methylimidazol-3-ium-1-yl)-[4-(2-pyridyl)piperazino]methanone iodide Formula: C14H18IN5O MolecularWeight: 399.23009

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=N3.[I-]

Isomeric SMILES

C[N+]1=CN(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=N3.[I-]

InChI

InChI=1S/C14H18N5O.HI/c1-16-6-7-19(12-16)14(20)18-10-8-17(9-11-18)13-4-2-3-5-15-13;/h2-7,12H,8-11H2,1H3;1H/q+1;/p-1