N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-5-nitro-2-oxidanylidene-1H-pyridine-3-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-5-nitro-2-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-keto-5-nitro-1H-pyridine-3-carboxamide Formula: C18H22N5O4+ MolecularWeight: 372.39838

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=CNC3=O)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=CNC3=O)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4/c1-2-21-7-9-22(10-8-21)14-5-3-13(4-6-14)20-18(25)16-11-15(23(26)27)12-19-17(16)24/h3-6,11-12H,2,7-10H2,1H3,(H,19,24)(H,20,25)/p+1