3-nitro-N-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]benzamide

Systemtic Name: 3-nitro-N-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]benzamide Openeye Name: 3-nitro-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]benzamide CAS Name: 3-nitro-N-[2-oxo-2-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethyl]benzamide IUPAC Name: 3-nitro-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]benzamide Traditional Name: N-[2-keto-2-(4-pyridin-1-ium-4-ylpiperazino)ethyl]-3-nitro-benzamide Formula: C18H20N5O4+ MolecularWeight: 370.3825

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O4/c24-17(13-20-18(25)14-2-1-3-16(12-14)23(26)27)22-10-8-21(9-11-22)15-4-6-19-7-5-15/h1-7,12H,8-11,13H2,(H,20,25)/p+1