methyl (NE)-N-[(methoxycarbonylamino)-[(1-methylpyridin-1-ium-4-yl)amino]methylidene]carbamate iodide

Systemtic Name: methyl (NE)-N-[(methoxycarbonylamino)-[(1-methylpyridin-1-ium-4-yl)amino]methylidene]carbamate iodide Openeye Name: methyl (NE)-N-[(methoxycarbonylamino)-[(1-methylpyridin-1-ium-4-yl)amino]methylene]carbamate iodide CAS Name: (NE)-N-[(methoxycarbonylamino)-[(1-methyl-4-pyridin-1-iumyl)amino]methylidene]carbamic acid methyl ester iodide IUPAC Name: methyl (NE)-N-[(methoxycarbonylamino)-[(1-methylpyridin-1-ium-4-yl)amino]methylidene]carbamate iodide Traditional Name: (NE)-N-[(carbomethoxyamino)-[(1-methylpyridin-1-ium-4-yl)amino]methylene]carbamic acid methyl ester iodide Formula: C11H15IN4O4 MolecularWeight: 394.16567

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)NC(=NC(=O)OC)NC(=O)OC.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)N/C(=N\C(=O)OC)/NC(=O)OC.[I-]

InChI

InChI=1S/C11H14N4O4.HI/c1-15-6-4-8(5-7-15)12-9(13-10(16)18-2)14-11(17)19-3;/h4-7H,1-3H3,(H,13,14,16,17);1H