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

Systemtic Name: N-[[2-[cyclohexyl(methyl)amino]pyridin-3-yl]methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[[2-[cyclohexyl(methyl)amino]-3-pyridyl]methyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[[2-[cyclohexyl(methyl)amino]pyridin-3-yl]methyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[[2-[cyclohexyl(methyl)amino]-3-pyridyl]methyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C19H24N4O2 MolecularWeight: 340.41946

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=C(C=CC=N2)CNC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CN(C1CCCCC1)C2=C(C=CC=N2)CNC(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C19H24N4O2/c1-22(17-9-3-2-4-10-17)18-15(7-5-11-20-18)13-21-19(24)16-8-6-12-23(25)14-16/h5-8,11-12,14,17H,2-4,9-10,13H2,1H3,(H,21,24)