tert-butyl N-[2-[(3-iodanylpyridin-1-ium-2-yl)amino]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[(3-iodanylpyridin-1-ium-2-yl)amino]ethyl]carbamate Openeye Name: tert-butyl N-[2-[(3-iodopyridin-1-ium-2-yl)amino]ethyl]carbamate CAS Name: N-[2-[(3-iodo-2-pyridin-1-iumyl)amino]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[(3-iodopyridin-1-ium-2-yl)amino]ethyl]carbamate Traditional Name: N-[2-[(3-iodopyridin-1-ium-2-yl)amino]ethyl]carbamic acid tert-butyl ester Formula: C12H19IN3O2+ MolecularWeight: 364.20263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCNC1=C(C=CC=[NH+]1)I

Isomeric SMILES

CC(C)(C)OC(=O)NCCNC1=C(C=CC=[NH+]1)I

InChI

InChI=1S/C12H18IN3O2/c1-12(2,3)18-11(17)16-8-7-15-10-9(13)5-4-6-14-10/h4-6H,7-8H2,1-3H3,(H,14,15)(H,16,17)/p+1