tert-butyl 4-(3-iodanylpyridin-1-ium-2-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-iodanylpyridin-1-ium-2-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-iodopyridin-1-ium-2-yl)piperazine-1-carboxylate CAS Name: 4-(3-iodo-2-pyridin-1-iumyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-iodopyridin-1-ium-2-yl)piperazine-1-carboxylate Traditional Name: 4-(3-iodopyridin-1-ium-2-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C14H21IN3O2+ MolecularWeight: 390.23991

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)I

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)I

InChI

InChI=1S/C14H20IN3O2/c1-14(2,3)20-13(19)18-9-7-17(8-10-18)12-11(15)5-4-6-16-12/h4-6H,7-10H2,1-3H3/p+1