N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[[2-(diethylamino)-3-pyridin-1-iumyl]methyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C16H21N4O2+ MolecularWeight: 301.36354

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=CC=[NH+]1)CNC(=O)C2=C[N+](=CC=C2)[O-]

Isomeric SMILES

CCN(CC)C1=C(C=CC=[NH+]1)CNC(=O)C2=C[N+](=CC=C2)[O-]

InChI

InChI=1S/C16H20N4O2/c1-3-19(4-2)15-13(7-5-9-17-15)11-18-16(21)14-8-6-10-20(22)12-14/h5-10,12H,3-4,11H2,1-2H3,(H,18,21)/p+1