3-nitro-N-[[4-(1-oxidanidylpyridin-1-ium-2-yl)piperidin-1-yl]methyl]benzamide

Systemtic Name: 3-nitro-N-[[4-(1-oxidanidylpyridin-1-ium-2-yl)piperidin-1-yl]methyl]benzamide Openeye Name: 3-nitro-N-[[4-(1-oxidopyridin-1-ium-2-yl)-1-piperidyl]methyl]benzamide CAS Name: 3-nitro-N-[[4-(1-oxido-2-pyridin-1-iumyl)-1-piperidinyl]methyl]benzamide IUPAC Name: 3-nitro-N-[[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]methyl]benzamide Traditional Name: 3-nitro-N-[[4-(1-oxidopyridin-1-ium-2-yl)piperidino]methyl]benzamide Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=[N+]2[O-])CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=CC=CC=[N+]2[O-])CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O4/c23-18(15-4-3-5-16(12-15)22(25)26)19-13-20-10-7-14(8-11-20)17-6-1-2-9-21(17)24/h1-6,9,12,14H,7-8,10-11,13H2,(H,19,23)