5-nitro-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-1H-pyridin-2-one

Systemtic Name: 5-nitro-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-1H-pyridin-2-one Openeye Name: 3-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-carbonyl]-5-nitro-1H-pyridin-2-one CAS Name: 5-nitro-3-[oxo-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]methyl]-1H-pyridin-2-one IUPAC Name: 5-nitro-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbonyl]-1H-pyridin-2-one Traditional Name: 3-[4-(4-isopropylbenzyl)piperazin-4-ium-1-carbonyl]-5-nitro-2-pyridone Formula: C20H25N4O4+ MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CNC3=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CNC3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O4/c1-14(2)16-5-3-15(4-6-16)13-22-7-9-23(10-8-22)20(26)18-11-17(24(27)28)12-21-19(18)25/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,21,25)/p+1